2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide

C12H24N2O3S — CID 64679590

IUPAC2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)9-5-8-14-11(15)10-12(13)6-3-2-4-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyHAVVTJOWYUFQSU-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.59
Rot. Bonds6

About 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide

2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide (PubChem CID 64679590) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide
PubChem CID64679590
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide
SMILESCS(=O)(=O)CCCNC(=O)CC1(N)CCCCC1
InChIInChI=1S/C12H24N2O3S/c1-18(16,17)9-5-8-14-11(15)10-12(13)6-3-2-4-7-12/h2-10,13H2,1H3,(H,14,15)
InChIKeyHAVVTJOWYUFQSU-UHFFFAOYSA-N
XLogP0.59
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide (CID 64679590) is 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide is CS(=O)(=O)CCCNC(=O)CC1(N)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide?
The InChIKey is HAVVTJOWYUFQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-18(16,17)9-5-8-14-11(15)10-12(13)6-3-2-4-7-12/h2-10,13H2,1H3,(H,14,15).
What are the key properties of 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide?
2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide has a molecular weight of 276.40 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(3-methylsulfonylpropyl)acetamide is sourced from PubChem (CID 64679590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).