2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide

C13H28N2O2S — CID 56701976

IUPAC2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide
SMILESCC(CC1CCCCC1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H28N2O2S/c1-12(11-13-7-5-4-6-8-13)14-9-10-18(16,17)15(2)3/h12-14H,4-11H2,1-3H3
InChIKeyRTDIYZLEEWNLAP-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.83
Rot. Bonds7

About 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide

2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide (PubChem CID 56701976) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide.

Molecular Properties

Compound Name2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide
PubChem CID56701976
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC Name2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide
SMILESCC(CC1CCCCC1)NCCS(=O)(=O)N(C)C
InChIInChI=1S/C13H28N2O2S/c1-12(11-13-7-5-4-6-8-13)14-9-10-18(16,17)15(2)3/h12-14H,4-11H2,1-3H3
InChIKeyRTDIYZLEEWNLAP-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(octylamino)ethanesulfonamide
CID 45480036
2-(cyclohexylamino)-N-octylethanesulfonamide
CID 45480035
{1-[1-(Ethanesulfonyl)piperidin-4-yl]ethyl}(methyl)amine
CID 63854893
Trans-(4-(methylamino)cyclohexyl)methanesulfonic acid
CID 130297570
2-[(Cyclohexylmethyl)amino]ethanesulfonic Acid
CID 66553101
2-(Cyclohexylmethylazaniumyl)ethanesulfonate
CID 152757612
(3S)-N-(4-ethylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 28435939
1-cyclohexyl-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 56790967
N-[(1,1-dioxothian-4-yl)methyl]-2-ethylcyclohexan-1-amine
CID 75500184
1-cyclohexyl-N-[(3S)-piperidin-3-yl]methanesulfonamide
CID 93870995
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-2-methylpropane-1-sulfonamide
CID 131936428

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide?
The IUPAC name of 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide (CID 56701976) is 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide.
What is the SMILES notation for 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide?
The canonical SMILES for 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide is CC(CC1CCCCC1)NCCS(=O)(=O)N(C)C.
What is the InChIKey of 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide?
The InChIKey is RTDIYZLEEWNLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-12(11-13-7-5-4-6-8-13)14-9-10-18(16,17)15(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide?
2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpropan-2-ylamino)-N,N-dimethylethanesulfonamide is sourced from PubChem (CID 56701976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).