(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide

C19H39NOS — CID 25171481

IUPAC(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCCCCCCCCCC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C19H39NOS/c1-6-8-9-10-11-12-13-14-15-17-18(16-7-2)20-22(21)19(3,4)5/h7,18,20H,2,6,8-17H2,1,3-5H3/t18-,22+/m1/s1
InChIKeySKEOSUNJRMWUFG-GCJKJVERSA-N
MW329.59 g/mol
LogP5.90
Rot. Bonds14

About (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide

(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide (PubChem CID 25171481) has the molecular formula C19H39NOS and a molecular weight of 329.59 g/mol. Its IUPAC name is (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide.

Molecular Properties

Compound Name(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide
PubChem CID25171481
Molecular FormulaC19H39NOS
Molecular Weight329.59 g/mol
Exact Mass329.28
IUPAC Name(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide
SMILESC=CC[C@H](CCCCCCCCCCC)N[S@@](=O)C(C)(C)C
InChIInChI=1S/C19H39NOS/c1-6-8-9-10-11-12-13-14-15-17-18(16-7-2)20-22(21)19(3,4)5/h7,18,20H,2,6,8-17H2,1,3-5H3/t18-,22+/m1/s1
InChIKeySKEOSUNJRMWUFG-GCJKJVERSA-N
XLogP5.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.59
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(R)-N-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135006016
(R)-2-methyl-N-[(4R)-2-methyldodec-1-en-4-yl]propane-2-sulfinamide
CID 135006017
(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
(R)-N-[(4R,5R)-5-[[(R)-tert-butylsulfinyl]amino]octa-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 11588303
(R)-N-[(1S)-1-cyclohexylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 11984214
(S)-2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 46944527
(S)-N-[(4S,5S)-5-[[(S)-tert-butylsulfinyl]amino]octa-1,7-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 134957466
(R)-N-[(E,6S)-dodec-4-en-6-yl]-2-methylpropane-2-sulfinamide
CID 135000510
(R)-N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
CID 135000839
(R)-N-[(3S)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135005878
(R)-N-[(3R)-hex-5-en-3-yl]-2-methylpropane-2-sulfinamide
CID 135019730
(R)-N-[(4R)-hept-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 135056974

Frequently Asked Questions

What is the IUPAC name of (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide?
The IUPAC name of (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide (CID 25171481) is (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide.
What is the SMILES notation for (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide?
The canonical SMILES for (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide is C=CC[C@H](CCCCCCCCCCC)N[S@@](=O)C(C)(C)C.
What is the InChIKey of (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide?
The InChIKey is SKEOSUNJRMWUFG-GCJKJVERSA-N. The full InChI is InChI=1S/C19H39NOS/c1-6-8-9-10-11-12-13-14-15-17-18(16-7-2)20-22(21)19(3,4)5/h7,18,20H,2,6,8-17H2,1,3-5H3/t18-,22+/m1/s1.
What are the key properties of (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide?
(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide has a molecular weight of 329.59 g/mol, XLogP of 5.90, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide is sourced from PubChem (CID 25171481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).