2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one

C10H19NO3S — CID 116551695

IUPAC2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
SMILESCC(N)C(=O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H19NO3S/c1-7(11)10(12)8-4-3-5-9(6-8)15(2,13)14/h7-9H,3-6,11H2,1-2H3
InChIKeyNZXUAZABTNCCJD-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.51
Rot. Bonds3

About 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one

2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one (PubChem CID 116551695) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
PubChem CID116551695
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
SMILESCC(N)C(=O)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C10H19NO3S/c1-7(11)10(12)8-4-3-5-9(6-8)15(2,13)14/h7-9H,3-6,11H2,1-2H3
InChIKeyNZXUAZABTNCCJD-UHFFFAOYSA-N
XLogP0.51
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116583967
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2-methoxy-1-(3-methylsulfonylcyclohexyl)-2-phenylethanone
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2-ethoxy-1-(3-methylsulfonylcyclohexyl)pentan-1-one
CID 116707952
2-amino-2-cyclopropyl-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116558440
1-(3-methylsulfonylcyclohexyl)-3-(propan-2-ylamino)propan-1-one
CID 116556398
3-methyl-1-(3-methylsulfonylcyclohexyl)but-2-en-1-one
CID 103455460
(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
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cis-(1S,3R)-3-methylsulfonylcyclopentane-1-carbothioamide
CID 99997742
(3-methylsulfonylcyclohexyl)-pyrimidin-5-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one?
The IUPAC name of 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one (CID 116551695) is 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one is CC(N)C(=O)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one?
The InChIKey is NZXUAZABTNCCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(11)10(12)8-4-3-5-9(6-8)15(2,13)14/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one?
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one has a molecular weight of 233.33 g/mol, XLogP of 0.51, 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)propan-1-one is sourced from PubChem (CID 116551695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).