2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

C14H29N3O3S — CID 64678564

IUPAC2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)CC1(N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-3-17(21(2,19)20)11-7-10-16-13(18)12-14(15)8-5-4-6-9-14/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyBPZCCZNWYBBVEY-UHFFFAOYSA-N
MW319.47 g/mol
LogP0.83
Rot. Bonds8

About 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide

2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (PubChem CID 64678564) has the molecular formula C14H29N3O3S and a molecular weight of 319.47 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
PubChem CID64678564
Molecular FormulaC14H29N3O3S
Molecular Weight319.47 g/mol
Exact Mass319.19
IUPAC Name2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide
SMILESCCN(CCCNC(=O)CC1(N)CCCCC1)S(C)(=O)=O
InChIInChI=1S/C14H29N3O3S/c1-3-17(21(2,19)20)11-7-10-16-13(18)12-14(15)8-5-4-6-9-14/h3-12,15H2,1-2H3,(H,16,18)
InChIKeyBPZCCZNWYBBVEY-UHFFFAOYSA-N
XLogP0.83
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide (CID 64678564) is 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide is CCN(CCCNC(=O)CC1(N)CCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
The InChIKey is BPZCCZNWYBBVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O3S/c1-3-17(21(2,19)20)11-7-10-16-13(18)12-14(15)8-5-4-6-9-14/h3-12,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide?
2-(1-aminocyclohexyl)-N-[3-[ethyl(methylsulfonyl)amino]propyl]acetamide has a molecular weight of 319.47 g/mol, XLogP of 0.83, 8 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-[ethyl(methylsulfonyl)amino]propyl]acetamide is sourced from PubChem (CID 64678564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).