(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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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).