N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide

C20H41NOS — CID 101456988

IUPACN-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@](CC)(CCCCCC)[C@@H](CCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C20H41NOS/c1-8-12-14-15-17-20(10-3,11-4)18(16-13-9-2)21-23(22)19(5,6)7/h10,18,21H,3,8-9,11-17H2,1-2,4-7H3/t18-,20-,23?/m1/s1
InChIKeyUIUVNMBAWCSTCZ-BIGQVAPZSA-N
MW343.62 g/mol
LogP6.15
Rot. Bonds13

About N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide

N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide (PubChem CID 101456988) has the molecular formula C20H41NOS and a molecular weight of 343.62 g/mol. Its IUPAC name is N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
PubChem CID101456988
Molecular FormulaC20H41NOS
Molecular Weight343.62 g/mol
Exact Mass343.29
IUPAC NameN-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@](CC)(CCCCCC)[C@@H](CCCC)NS(=O)C(C)(C)C
InChIInChI=1S/C20H41NOS/c1-8-12-14-15-17-20(10-3,11-4)18(16-13-9-2)21-23(22)19(5,6)7/h10,18,21H,3,8-9,11-17H2,1-2,4-7H3/t18-,20-,23?/m1/s1
InChIKeyUIUVNMBAWCSTCZ-BIGQVAPZSA-N
XLogP6.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 56.15
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)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093106
(S)-2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 46944527
(S)-N-[(4R,6R)-6-[[(S)-tert-butylsulfinyl]amino]-5,5-dimethylnona-1,8-dien-4-yl]-2-methylpropane-2-sulfinamide
CID 134957422
(R)-N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
CID 135000839
N-[(4R)-dodec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 101370606
N-[(4R)-3-ethenyltridec-1-en-4-yl]-2-methylpropane-2-sulfinamide
CID 102333982
(R)-2-methyl-N-[(4R)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 11630835
(S)-2-methyl-N-[(4S)-pentadec-1-en-4-yl]propane-2-sulfinamide
CID 25171481
2-methyl-N-[(1-prop-2-enylcyclohexyl)methyl]propane-2-sulfinamide
CID 86057961
2-methyl-N-[(4S)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 102045077
2-methyl-N-[(4R)-tridec-1-en-4-yl]propane-2-sulfinamide
CID 102188989

Frequently Asked Questions

What is the IUPAC name of N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide (CID 101456988) is N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide is C=C[C@@](CC)(CCCCCC)[C@@H](CCCC)NS(=O)C(C)(C)C.
What is the InChIKey of N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide?
The InChIKey is UIUVNMBAWCSTCZ-BIGQVAPZSA-N. The full InChI is InChI=1S/C20H41NOS/c1-8-12-14-15-17-20(10-3,11-4)18(16-13-9-2)21-23(22)19(5,6)7/h10,18,21H,3,8-9,11-17H2,1-2,4-7H3/t18-,20-,23?/m1/s1.
What are the key properties of N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide?
N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 343.62 g/mol, XLogP of 6.15, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 101456988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).