2-(4-methylcyclohexyl)sulfonylpropan-1-amine

C10H21NO2S — CID 81187393

IUPAC2-(4-methylcyclohexyl)sulfonylpropan-1-amine
SMILESCC1CCC(S(=O)(=O)C(C)CN)CC1
InChIInChI=1S/C10H21NO2S/c1-8-3-5-10(6-4-8)14(12,13)9(2)7-11/h8-10H,3-7,11H2,1-2H3
InChIKeyDECXISUYTQBEDF-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-methylcyclohexyl)sulfonylpropan-1-amine

2-(4-methylcyclohexyl)sulfonylpropan-1-amine (PubChem CID 81187393) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)sulfonylpropan-1-amine.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)sulfonylpropan-1-amine
PubChem CID81187393
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name2-(4-methylcyclohexyl)sulfonylpropan-1-amine
SMILESCC1CCC(S(=O)(=O)C(C)CN)CC1
InChIInChI=1S/C10H21NO2S/c1-8-3-5-10(6-4-8)14(12,13)9(2)7-11/h8-10H,3-7,11H2,1-2H3
InChIKeyDECXISUYTQBEDF-UHFFFAOYSA-N
XLogP1.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)sulfonylpropan-1-amine?
The IUPAC name of 2-(4-methylcyclohexyl)sulfonylpropan-1-amine (CID 81187393) is 2-(4-methylcyclohexyl)sulfonylpropan-1-amine.
What is the SMILES notation for 2-(4-methylcyclohexyl)sulfonylpropan-1-amine?
The canonical SMILES for 2-(4-methylcyclohexyl)sulfonylpropan-1-amine is CC1CCC(S(=O)(=O)C(C)CN)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)sulfonylpropan-1-amine?
The InChIKey is DECXISUYTQBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-8-3-5-10(6-4-8)14(12,13)9(2)7-11/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)sulfonylpropan-1-amine?
2-(4-methylcyclohexyl)sulfonylpropan-1-amine has a molecular weight of 219.35 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)sulfonylpropan-1-amine is sourced from PubChem (CID 81187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).