N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide

C12H24N2O3S — CID 104520757

IUPACN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1CN)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9(18(3,16)17)12(15)14(2)11-7-5-4-6-10(11)8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyXYPICBDCAXGCHJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.40
Rot. Bonds4

About N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide

N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide (PubChem CID 104520757) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
PubChem CID104520757
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)C1CCCCC1CN)S(C)(=O)=O
InChIInChI=1S/C12H24N2O3S/c1-9(18(3,16)17)12(15)14(2)11-7-5-4-6-10(11)8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyXYPICBDCAXGCHJ-UHFFFAOYSA-N
XLogP0.40
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromocyclohexyl)-N-methyl-2-methylsulfonylpropanamide
CID 102638294
N-[2-(aminomethyl)cyclopentyl]-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
CID 103310395
N-[2-(aminomethyl)cyclohexyl]-N-methylpyrrolidine-1-carboxamide
CID 79160948
N-[2-(aminomethyl)cyclohexyl]-N-methylazepane-1-carboxamide
CID 79151771
2-[[2-(aminomethyl)cycloheptyl]-propan-2-ylamino]acetamide
CID 54988934
2-(aminomethyl)-N-methyl-N-propan-2-ylcyclopentan-1-amine
CID 43293401
3-[[2-(aminomethyl)cyclopentyl]-methylamino]-N,2-dimethylpropanamide
CID 106914920
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112603464
(2S)-2-amino-N-[(1R,2S)-2-(dimethylamino)cyclohexyl]-N-methylpropanamide
CID 96553420
2-[[2-(aminomethyl)cyclohexyl]-methylamino]-N-methylacetamide
CID 43374646
N-[2-(aminomethyl)cyclopentyl]-N,2,2-trimethylcyclopropane-1-carboxamide
CID 107002255
N-[2-(aminomethyl)cyclohexyl]-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104520756

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide (CID 104520757) is N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide is CC(C(=O)N(C)C1CCCCC1CN)S(C)(=O)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide?
The InChIKey is XYPICBDCAXGCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-9(18(3,16)17)12(15)14(2)11-7-5-4-6-10(11)8-13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide?
N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide has a molecular weight of 276.40 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-N-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 104520757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).