(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide

C9H21NOS — CID 135057244

IUPAC(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
SMILESCCC[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12-/m0/s1
InChIKeyWRVFUXQGIDMWEC-UFBFGSQYSA-N
MW191.34 g/mol
LogP2.23
Rot. Bonds4

About (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide (PubChem CID 135057244) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
PubChem CID135057244
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC Name(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
SMILESCCC[C@H](C)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12-/m0/s1
InChIKeyWRVFUXQGIDMWEC-UFBFGSQYSA-N
XLogP2.23
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2R)-hexan-2-yl]-2-methylpropane-2-sulfinamide
CID 101035801
(R)-N-[(2R)-butan-2-yl]-2-methylpropane-2-sulfinamide
CID 135056564
N-pentan-2-ylmethanesulfinamide
CID 123141718
2-methyl-N-[(3S)-2-methylpentan-3-yl]propane-2-sulfinamide
CID 101468580
ethyl (2S)-2-[[(R)-tert-butylsulfinyl]amino]propanoate
CID 10751477
N-[(2R)-3,3-dimethylbutan-2-yl]-2-methylpropane-2-sulfinamide
CID 102403460
N-[(3R)-2-chloro-2-methylpentan-3-yl]-2-methylpropane-2-sulfinamide
CID 102254700
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]icosanoate
CID 53253667
N-[(1R)-1-(6-bromo-2-pyridinyl)butyl]-2-methylpropane-2-sulfinamide
CID 118663891
(S)-N-(1-ethoxy-2,2-difluoroethyl)-2-methylpropane-2-sulfinamide
CID 166148136
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
N-[(3S)-2,3-dimethyloct-4-yn-3-yl]-2-methylpropane-2-sulfinamide
CID 101415067

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide (CID 135057244) is (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide is CCC[C@H](C)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide?
The InChIKey is WRVFUXQGIDMWEC-UFBFGSQYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-6-7-8(2)10-12(11)9(3,4)5/h8,10H,6-7H2,1-5H3/t8-,12-/m0/s1.
What are the key properties of (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide has a molecular weight of 191.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide is sourced from PubChem (CID 135057244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).