1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine

C13H27NO2S — CID 115900849

IUPAC1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CCCCC1C
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)10-12(3)14-9-13-8-6-5-7-11(13)2/h11-14H,4-10H2,1-3H3
InChIKeyYKRQMONELXIVDE-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.23
Rot. Bonds6

About 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine

1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 115900849) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
PubChem CID115900849
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCC1CCCCC1C
InChIInChI=1S/C13H27NO2S/c1-4-17(15,16)10-12(3)14-9-13-8-6-5-7-11(13)2/h11-14H,4-10H2,1-3H3
InChIKeyYKRQMONELXIVDE-UHFFFAOYSA-N
XLogP2.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylcyclohexyl)methyl]nonan-2-amine
CID 63455367
1-cyclopropyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine
CID 115713187
N-(cyclopropylmethyl)-1-ethylsulfonylpropan-2-amine
CID 115626115
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
2-[(2-methylcyclohexyl)methylamino]-N-propan-2-ylpropanamide
CID 55013491
2-[(2-methylcyclopentyl)methylamino]-N-pentan-3-ylpropanamide
CID 107417924
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 86799420
methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
CID 79391970
N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 107419516
1-ethylsulfonyl-N-[(1-methylpiperidin-4-yl)methyl]propan-2-amine
CID 115900963
3-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107418219
N'-cyclopentyl-N-(1-ethylsulfonylpropan-2-yl)-N'-methylethane-1,2-diamine
CID 113350762

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine (CID 115900849) is 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine is CCS(=O)(=O)CC(C)NCC1CCCCC1C.
What is the InChIKey of 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is YKRQMONELXIVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-4-17(15,16)10-12(3)14-9-13-8-6-5-7-11(13)2/h11-14H,4-10H2,1-3H3.
What are the key properties of 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine?
1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine has a molecular weight of 261.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[(2-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 115900849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).