(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide

C19H34N2O4S — CID 155758066

IUPAC(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCOCCCOc1cc(C[C@H](N[S@](=O)C(C)(C)C)C(C)C)cnc1OC
InChIInChI=1S/C19H34N2O4S/c1-14(2)16(21-26(22)19(3,4)5)11-15-12-17(18(24-7)20-13-15)25-10-8-9-23-6/h12-14,16,21H,8-11H2,1-7H3/t16-,26+/m0/s1
InChIKeyHFWGPSVWXPEUFT-YHAMSUFESA-N
MW386.56 g/mol
LogP3.12
Rot. Bonds11

About (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide

(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (PubChem CID 155758066) has the molecular formula C19H34N2O4S and a molecular weight of 386.56 g/mol. Its IUPAC name is (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
PubChem CID155758066
Molecular FormulaC19H34N2O4S
Molecular Weight386.56 g/mol
Exact Mass386.22
IUPAC Name(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide
SMILESCOCCCOc1cc(C[C@H](N[S@](=O)C(C)(C)C)C(C)C)cnc1OC
InChIInChI=1S/C19H34N2O4S/c1-14(2)16(21-26(22)19(3,4)5)11-15-12-17(18(24-7)20-13-15)25-10-8-9-23-6/h12-14,16,21H,8-11H2,1-7H3/t16-,26+/m0/s1
InChIKeyHFWGPSVWXPEUFT-YHAMSUFESA-N
XLogP3.12
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(4S)-4-[2-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]ethyl]-2,5-dimethylhexan-2-yl]carbamic acid
CID 175449453
(E)-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-N,N,8-trimethyl-2-propan-2-ylnon-4-enamide
CID 145476828
5-[[(2S)-2-amino-3-methylbutanoyl]amino]-N-(cyclopropylmethyl)-4-hydroxy-7-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-8-methyl-2-propan-2-ylnonanamide
CID 67593104
[(6S)-6-amino-3-(cyclopropylmethylcarbamoyl)-8-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl] 2-amino-3-methylbutanoate
CID 67594181
[1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-3,3-dimethylbutan-2-yl]urea
CID 123390795
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
1-[[(3S,5S,6S,8S)-8-(cyclopropylmethylcarbamoyl)-6-hydroxy-3-[[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]methyl]-2,9-dimethyldecan-5-yl]carbamoyloxy]ethyl 2-methylpropanoate
CID 69176601
[1-[4-chloro-3-(3-methoxypropoxy)phenyl]-3-methylbutan-2-yl]urea
CID 123935421
N-[1-[3-(3-methoxypropoxy)-4-(1,3-thiazol-4-yl)phenyl]-3-methylbutan-2-yl]formamide
CID 169323286
1-[4-methoxy-3-(3-methoxypropoxy)phenyl]-2,3-dimethylbutan-2-amine
CID 135313299
4-[(2R)-2-(bromomethyl)-3-methylbutyl]-1-methoxy-2-(3-methoxypropoxy)benzene
CID 11325823
(2S)-2-amino-3-(5,6-dimethoxy-3-pyridinyl)propanoic acid
CID 169025372

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide (CID 155758066) is (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is COCCCOc1cc(C[C@H](N[S@](=O)C(C)(C)C)C(C)C)cnc1OC.
What is the InChIKey of (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is HFWGPSVWXPEUFT-YHAMSUFESA-N. The full InChI is InChI=1S/C19H34N2O4S/c1-14(2)16(21-26(22)19(3,4)5)11-15-12-17(18(24-7)20-13-15)25-10-8-9-23-6/h12-14,16,21H,8-11H2,1-7H3/t16-,26+/m0/s1.
What are the key properties of (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide?
(R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 386.56 g/mol, XLogP of 3.12, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(2S)-1-[6-methoxy-5-(3-methoxypropoxy)-3-pyridinyl]-3-methylbutan-2-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 155758066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).