1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide

C14H29NO2S — CID 95733766

IUPAC1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)9-10-13(3)15-18(16,17)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyACRCOGMTVAYOCW-ZDUSSCGKSA-N
MW275.46 g/mol
LogP3.31
Rot. Bonds7

About 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide

1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide (PubChem CID 95733766) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
PubChem CID95733766
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
SMILESCC(C)CC[C@H](C)NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C14H29NO2S/c1-12(2)9-10-13(3)15-18(16,17)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyACRCOGMTVAYOCW-ZDUSSCGKSA-N
XLogP3.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-methylmethanesulfonamide
CID 19877943
1-Butanesulfonamide, N-cyclohexyl-
CID 47495
Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
N-(2-(aminomethyl)cyclohexyl)methanesulfonamide hydrochloride
CID 119031028
N-(4-amino-4-methylcyclohexyl)cyclopropanesulfonamide hydrochloride
CID 165950070
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
2-Amino-2-cyclohexylethanesulfonic acid
CID 10798377
3-(3-Aminocyclohexyl)propane-1-sulfonic acid
CID 20365848
3-Amino-3-cyclohexylpropane-1-sulfonic acid
CID 21666758
Cyclohexyl-3-amino-1-propanesulfonic acid
CID 54166191
N-cyclohexyl-2-methylpropane-2-sulfonamide
CID 62492167

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide (CID 95733766) is 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide is CC(C)CC[C@H](C)NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide?
The InChIKey is ACRCOGMTVAYOCW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-12(2)9-10-13(3)15-18(16,17)11-14-7-5-4-6-8-14/h12-15H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide?
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide has a molecular weight of 275.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide is sourced from PubChem (CID 95733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).