N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide

C19H37NOS — CID 102333982

IUPACN-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@@H](CCCCCCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C19H37NOS/c1-7-10-11-12-13-14-15-16-18(17(8-2)9-3)20-22(21)19(4,5)6/h8-9,17-18,20H,2-3,7,10-16H2,1,4-6H3/t18-,22?/m1/s1
InChIKeyIRSMVRYEEPMVMW-ZZWBGTBQSA-N
MW327.58 g/mol
LogP5.54
Rot. Bonds13

About N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide

N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide (PubChem CID 102333982) has the molecular formula C19H37NOS and a molecular weight of 327.58 g/mol. Its IUPAC name is N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
PubChem CID102333982
Molecular FormulaC19H37NOS
Molecular Weight327.58 g/mol
Exact Mass327.26
IUPAC NameN-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@@H](CCCCCCCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C19H37NOS/c1-7-10-11-12-13-14-15-16-18(17(8-2)9-3)20-22(21)19(4,5)6/h8-9,17-18,20H,2-3,7,10-16H2,1,4-6H3/t18-,22?/m1/s1
InChIKeyIRSMVRYEEPMVMW-ZZWBGTBQSA-N
XLogP5.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.58
LogP ≤ 55.54
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
2-methyl-N-[(4R)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 132574202
(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
(R)-N-[(1S)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939663
(R)-N-[(1R)-1-cyclopropylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 134939670
(S)-N-[(R)-[(1S)-cyclohex-2-en-1-yl]-cyclohexylmethyl]-2-methylpropane-2-sulfinamide
CID 134941099
(R)-N-[(E,2S)-1-cyclohexylhept-3-en-2-yl]-2-methylpropane-2-sulfinamide
CID 134941850
(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

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide (CID 102333982) is N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide is C=CC(C=C)[C@@H](CCCCCCCCC)NS(=O)C(C)(C)C.
What is the InChIKey of N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is IRSMVRYEEPMVMW-ZZWBGTBQSA-N. The full InChI is InChI=1S/C19H37NOS/c1-7-10-11-12-13-14-15-16-18(17(8-2)9-3)20-22(21)19(4,5)6/h8-9,17-18,20H,2-3,7,10-16H2,1,4-6H3/t18-,22?/m1/s1.
What are the key properties of N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide?
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 327.58 g/mol, XLogP of 5.54, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 102333982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).