(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide

C16H29NOS — CID 139093106

IUPAC(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@H](N[S@](=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19+/m0/s1
InChIKeyKTNTWKOLKFFLJF-HNAYVOBHSA-N
MW283.48 g/mol
LogP3.98
Rot. Bonds6

About (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide

(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 139093106) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
PubChem CID139093106
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide
SMILESC=CC(C=C)[C@H](N[S@](=O)C(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19+/m0/s1
InChIKeyKTNTWKOLKFFLJF-HNAYVOBHSA-N
XLogP3.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
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
(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-[(5R,6R)-6-ethenyl-6-ethyldodecan-5-yl]-2-methylpropane-2-sulfinamide
CID 135000839
(R)-N-[(E,1S)-1-cyclohexylhex-2-enyl]-2-methylpropane-2-sulfinamide
CID 135000883
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
N-((R)-1-cyclobutylbut-3-en-1-yl)-2-methylpropane-2-sulfinamide
CID 118558970
(S)-2-methyl-N-[(4S)-6-methylhept-1-en-4-yl]propane-2-sulfinamide
CID 164848967

Frequently Asked Questions

What is the IUPAC name of (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide (CID 139093106) is (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide is C=CC(C=C)[C@H](N[S@](=O)C(C)(C)C)C1CCCCC1.
What is the InChIKey of (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is KTNTWKOLKFFLJF-HNAYVOBHSA-N. The full InChI is InChI=1S/C16H29NOS/c1-6-13(7-2)15(14-11-9-8-10-12-14)17-19(18)16(3,4)5/h6-7,13-15,17H,1-2,8-12H2,3-5H3/t15-,19+/m0/s1.
What are the key properties of (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide?
(R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 283.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-N-[(1R)-1-cyclohexyl-2-ethenylbut-3-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 139093106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).