3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine

C9H21N3O2S — CID 106125481

IUPAC3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine
SMILESCC(C)NS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-7(2)12-15(13,14)11-6-8-3-4-9(10)5-8/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyILKCBPVCKMOPOP-UHFFFAOYSA-N
MW235.35 g/mol
LogP-0.05
Rot. Bonds5

About 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine

3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine (PubChem CID 106125481) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine
PubChem CID106125481
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine
SMILESCC(C)NS(=O)(=O)NCC1CCC(N)C1
InChIInChI=1S/C9H21N3O2S/c1-7(2)12-15(13,14)11-6-8-3-4-9(10)5-8/h7-9,11-12H,3-6,10H2,1-2H3
InChIKeyILKCBPVCKMOPOP-UHFFFAOYSA-N
XLogP-0.05
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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-[(3S)-3-ethylcyclopentyl]-2-methylpropane-2-sulfonamide
CID 134966480
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]cyclopentan-1-amine
CID 106125410
3-methyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807280
3,3-dimethyl-N-(2,2,2-trifluoroethylsulfamoyl)cyclopentan-1-amine
CID 114807284
(3-Methylcyclopentyl)sulfamic acid
CID 19748602
4-methyl-N-(propan-2-ylsulfamoyl)pentan-1-amine
CID 22966185
sodium N-(3-methylcyclopentyl)sulfamate
CID 23690699
4-Methyl-3-(sulfinatoamino)heptane
CID 57421727
trans-(1R,3R)-1-methyl-3-(sulfinoamino)cyclopentane
CID 68060929
N-(3-ethylcyclopentyl)methanesulfonamide
CID 68260673
cis-(1R,3S)-1-methyl-3-(sulfinoamino)cyclopentane
CID 68347518
cis-(1S,3R)-1-methyl-3-(sulfinoamino)cyclopentane
CID 68347520

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine?
The IUPAC name of 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine (CID 106125481) is 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine is CC(C)NS(=O)(=O)NCC1CCC(N)C1.
What is the InChIKey of 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine?
The InChIKey is ILKCBPVCKMOPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c1-7(2)12-15(13,14)11-6-8-3-4-9(10)5-8/h7-9,11-12H,3-6,10H2,1-2H3.
What are the key properties of 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine?
3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine has a molecular weight of 235.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylsulfamoylamino)methyl]cyclopentan-1-amine is sourced from PubChem (CID 106125481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).