N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine

C9H21N3O2S — CID 114812924

IUPACN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-8-9(7-10)5-3-4-6-9/h11-12H,2-8,10H2,1H3
InChIKeyUSYKEZWWFFRSTN-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine

N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine (PubChem CID 114812924) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine
PubChem CID114812924
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine
SMILESCCNS(=O)(=O)NCC1(CN)CCCC1
InChIInChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-8-9(7-10)5-3-4-6-9/h11-12H,2-8,10H2,1H3
InChIKeyUSYKEZWWFFRSTN-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]-2,2,2-trifluoroethanamine
CID 114812921
3,3,4,4-tetramethyl-N-(methylsulfamoyl)pentan-1-amine
CID 20706577
N-[2-[1-(aminomethyl)cyclopentyl]ethyl]methanesulfonamide
CID 21888290
3,5,5-Trimethyl-1-(sulfinatoamino)hexane
CID 57421741
4,4-dimethyl-N-(methylsulfamoyl)pentan-1-amine
CID 110611315
1-(Aminomethyl)-1-[2-(sulfinatoamino)ethyl]cyclopentane
CID 141056092
N-(tert-butylsulfamoyl)-5,5-dimethylhexan-1-amine
CID 146353092
(Dimethylsulfamoylamino)methylcyclopentane
CID 34121594
1-[[[3-Aminopropyl(methyl)sulfamoyl]amino]methyl]-1-methylcyclopentane
CID 55261018
[[3-Aminopropyl(methyl)sulfamoyl]amino]methylcyclopentane
CID 61456388
N'-[cyclopentylmethyl(methyl)sulfamoyl]-N'-methylpropane-1,3-diamine
CID 63630912
1-[[[3-(Ethylamino)propyl-methylsulfamoyl]amino]methyl]-1-methylcyclopentane
CID 65794144

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine (CID 114812924) is N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine is CCNS(=O)(=O)NCC1(CN)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine?
The InChIKey is USYKEZWWFFRSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-2-11-15(13,14)12-8-9(7-10)5-3-4-6-9/h11-12H,2-8,10H2,1H3.
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine?
N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methylsulfamoyl]ethanamine is sourced from PubChem (CID 114812924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).