2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide

C12H24N2O3S — CID 103307783

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-10(2)18(16,17)14-11(15)8-12(9-13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeySMOGNHGTLMGGNT-UHFFFAOYSA-N
MW276.40 g/mol
LogP1.14
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide (PubChem CID 103307783) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
PubChem CID103307783
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)CC1(CN)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-10(2)18(16,17)14-11(15)8-12(9-13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeySMOGNHGTLMGGNT-UHFFFAOYSA-N
XLogP1.14
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
2-[1-(aminomethyl)cyclopentyl]-N-methylacetamide
CID 82503215
1-(aminomethyl)-N-propan-2-ylsulfonylcyclopentane-1-carboxamide
CID 103308017
2-[1-(aminomethyl)cyclohexyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 104677578
2-[1-(aminomethyl)cyclohexyl]-N-(4-methylpentan-2-yl)acetamide
CID 113440144
2-[1-(aminomethyl)cyclohexyl]-N-(3-hydroxy-2-methylpropyl)acetamide
CID 113440190
4-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]pentanoic acid
CID 112547674
2-[1-(aminomethyl)cyclobutyl]-N-(3-methylbutan-2-yl)acetamide
CID 81179592
2-[1-(aminomethyl)cyclohexyl]-N-ethoxyacetamide
CID 104678316
2-[[2-[1-(aminomethyl)cyclohexyl]acetyl]amino]-N-ethylpropanamide
CID 104677624
N-(2-aminoethyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104677966
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide (CID 103307783) is 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)NC(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide?
The InChIKey is SMOGNHGTLMGGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-10(2)18(16,17)14-11(15)8-12(9-13)6-4-3-5-7-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide has a molecular weight of 276.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 103307783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).