3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide

C13H27N3O3S — CID 79116151

IUPAC3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
SMILESCCN(CCS(=O)(=O)CCC(N)=O)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O3S/c1-2-16(12-5-3-11(14)4-6-12)8-10-20(18,19)9-7-13(15)17/h11-12H,2-10,14H2,1H3,(H2,15,17)
InChIKeyZEOQQWPLJZAXQR-UHFFFAOYSA-N
MW305.44 g/mol
LogP-0.13
Rot. Bonds8

About 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide

3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide (PubChem CID 79116151) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide.

Molecular Properties

Compound Name3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
PubChem CID79116151
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC Name3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide
SMILESCCN(CCS(=O)(=O)CCC(N)=O)C1CCC(N)CC1
InChIInChI=1S/C13H27N3O3S/c1-2-16(12-5-3-11(14)4-6-12)8-10-20(18,19)9-7-13(15)17/h11-12H,2-10,14H2,1H3,(H2,15,17)
InChIKeyZEOQQWPLJZAXQR-UHFFFAOYSA-N
XLogP-0.13
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[cyclopropyl(2-hydroxyethyl)amino]ethylsulfonyl]propanamide
CID 62021741
ethyl 2-[2-(3-amino-3-oxopropyl)sulfonylethyl-cyclopropylamino]acetate
CID 62027795
4-N-ethyl-4-N-(2-methylsulfonylethyl)cyclohexane-1,4-diamine
CID 79115090
3-[(4-aminocyclohexyl)-ethylamino]propanoic acid
CID 79115702
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
4-[(4-aminocyclohexyl)-ethylamino]-N-methylbutanamide
CID 79116146
3-[2-[ethyl(piperidin-4-ylmethyl)amino]ethylsulfonyl]propanamide
CID 79717457
3-[(4-aminocyclohexyl)-ethylamino]propan-1-ol
CID 79115547
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
ethyl 6-[(4-aminocyclohexyl)-ethylamino]hexanoate
CID 79116311
4-N-(2-ethylsulfonylethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121429
4-[cyclopropyl(ethyl)amino]butan-2-one
CID 43243301

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide?
The IUPAC name of 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide (CID 79116151) is 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide.
What is the SMILES notation for 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide?
The canonical SMILES for 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide is CCN(CCS(=O)(=O)CCC(N)=O)C1CCC(N)CC1.
What is the InChIKey of 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide?
The InChIKey is ZEOQQWPLJZAXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-2-16(12-5-3-11(14)4-6-12)8-10-20(18,19)9-7-13(15)17/h11-12H,2-10,14H2,1H3,(H2,15,17).
What are the key properties of 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide?
3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide has a molecular weight of 305.44 g/mol, XLogP of -0.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-aminocyclohexyl)-ethylamino]ethylsulfonyl]propanamide is sourced from PubChem (CID 79116151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).