2-amino-1-(3-methylsulfonylcyclohexyl)ethanone

C9H17NO3S — CID 116548386

IUPAC2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)CN)C1
InChIInChI=1S/C9H17NO3S/c1-14(12,13)8-4-2-3-7(5-8)9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyFBFWKRFZUDYTCI-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.12
Rot. Bonds3

About 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone

2-amino-1-(3-methylsulfonylcyclohexyl)ethanone (PubChem CID 116548386) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
PubChem CID116548386
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name2-amino-1-(3-methylsulfonylcyclohexyl)ethanone
SMILESCS(=O)(=O)C1CCCC(C(=O)CN)C1
InChIInChI=1S/C9H17NO3S/c1-14(12,13)8-4-2-3-7(5-8)9(11)6-10/h7-8H,2-6,10H2,1H3
InChIKeyFBFWKRFZUDYTCI-UHFFFAOYSA-N
XLogP0.12
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-(3-methylsulfonylcyclohexyl)ethanone
CID 115786048
3-(dimethylamino)-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 115345834
1-(3-methylsulfonylcyclohexyl)-3-(propan-2-ylamino)propan-1-one
CID 116556398
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
2-amino-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 116583967
2-amino-1-(3-methylcyclohexyl)ethanone
CID 116548396
2-[4-(aminomethyl)triazol-1-yl]-1-(3-methylsulfonylcyclohexyl)ethanone
CID 116599710
[5-(aminomethyl)oxolan-2-yl]-(3-methylsulfonylcyclohexyl)methanone
CID 116589106
2-hydroxy-1-(3-methylsulfonylcyclohexyl)butan-1-one
CID 103452895
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368
1-(3-methylsulfonylcyclohexyl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146906

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone?
The IUPAC name of 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone (CID 116548386) is 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone?
The canonical SMILES for 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone is CS(=O)(=O)C1CCCC(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone?
The InChIKey is FBFWKRFZUDYTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-14(12,13)8-4-2-3-7(5-8)9(11)6-10/h7-8H,2-6,10H2,1H3.
What are the key properties of 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone?
2-amino-1-(3-methylsulfonylcyclohexyl)ethanone has a molecular weight of 219.31 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylsulfonylcyclohexyl)ethanone is sourced from PubChem (CID 116548386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).