2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide

C11H22N2O3S — CID 114232047

IUPAC2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H22N2O3S/c1-11(2)6-4-5-8(10(11)12)17(15,16)7-9(14)13-3/h8,10H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyJWRLHWPDGIWVMP-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.05
Rot. Bonds3

About 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide

2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide (PubChem CID 114232047) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide
PubChem CID114232047
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide
SMILESCNC(=O)CS(=O)(=O)C1CCCC(C)(C)C1N
InChIInChI=1S/C11H22N2O3S/c1-11(2)6-4-5-8(10(11)12)17(15,16)7-9(14)13-3/h8,10H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyJWRLHWPDGIWVMP-UHFFFAOYSA-N
XLogP0.05
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 79847225
tert-butyl 2-(2-amino-3,3-dimethylcyclohexyl)sulfonylacetate
CID 116687561
methyl 3-(2-amino-3,3-dimethylcyclohexyl)sulfonylpropanoate
CID 79848100
methyl 2-(2-amino-3,3-dimethylcyclopentyl)sulfonylacetate
CID 79863132
2,2-dimethyl-6-methylsulfonylcyclohexan-1-amine
CID 79847216
6-(2-methoxyethylsulfonyl)-2,2-dimethylcyclohexan-1-amine
CID 79848180
2-(1-cyclohexylsulfonylpiperidin-4-yl)sulfonyl-N-methylacetamide
CID 90592811
2-amino-1-methyl-N-[2-(methylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 82766043
5-(2-methoxyethylsulfonyl)-2,2-dimethylcyclopentan-1-amine
CID 79862204
2,2-dimethyl-5-methylsulfonylcyclopentan-1-amine
CID 79863440
(2,2-dimethylcyclopentyl)methanesulfonamide
CID 107186498
6-(3-methoxyphenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
CID 79848176

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide?
The IUPAC name of 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide (CID 114232047) is 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide?
The canonical SMILES for 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide is CNC(=O)CS(=O)(=O)C1CCCC(C)(C)C1N.
What is the InChIKey of 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide?
The InChIKey is JWRLHWPDGIWVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2)6-4-5-8(10(11)12)17(15,16)7-9(14)13-3/h8,10H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide?
2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide has a molecular weight of 262.37 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3,3-dimethylcyclohexyl)sulfonyl-N-methylacetamide is sourced from PubChem (CID 114232047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).