2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide

C9H21N3O2S — CID 106334534

IUPAC2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-2-12-15(13,14)6-5-11-9-4-3-8(10)7-9/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDPFGVARCHDIJMZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.60
Rot. Bonds6

About 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide

2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide (PubChem CID 106334534) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
PubChem CID106334534
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CCC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-2-12-15(13,14)6-5-11-9-4-3-8(10)7-9/h8-9,11-12H,2-7,10H2,1H3
InChIKeyDPFGVARCHDIJMZ-UHFFFAOYSA-N
XLogP-0.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
1-N-(2-methylsulfonylethyl)cyclohexane-1,3-diamine
CID 79459348
N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
CID 106334177
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
CID 106336200
tert-butyl 4-[2-(ethylsulfamoyl)ethylamino]piperidine-1-carboxylate
CID 103729666
2-(cyclopropylamino)-N-(4-ethylcyclohexyl)ethanesulfonamide
CID 106053036
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149
2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
CID 106334525
3-ethyl-N-(2-ethylsulfonylethyl)cyclohexan-1-amine
CID 64743190
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
1-N-propylcyclohexane-1,3-diamine
CID 22026573

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide (CID 106334534) is 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC1CCC(N)C1.
What is the InChIKey of 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide?
The InChIKey is DPFGVARCHDIJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-12-15(13,14)6-5-11-9-4-3-8(10)7-9/h8-9,11-12H,2-7,10H2,1H3.
What are the key properties of 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide?
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide has a molecular weight of 235.35 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).