N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide

C9H18N2O2S — CID 165443916

IUPACN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
SMILESNC[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H18N2O2S/c10-6-7-1-2-8(5-7)11-14(12,13)9-3-4-9/h7-9,11H,1-6,10H2/t7-,8+/m1/s1
InChIKeyIDWCQZRYXLNDTO-SFYZADRCSA-N
MW218.32 g/mol
LogP0.20
Rot. Bonds4

About N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide

N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide (PubChem CID 165443916) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
PubChem CID165443916
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC NameN-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide
SMILESNC[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1
InChIInChI=1S/C9H18N2O2S/c10-6-7-1-2-8(5-7)11-14(12,13)9-3-4-9/h7-9,11H,1-6,10H2/t7-,8+/m1/s1
InChIKeyIDWCQZRYXLNDTO-SFYZADRCSA-N
XLogP0.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide?
The IUPAC name of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide (CID 165443916) is N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide is NC[C@@H]1CC[C@H](NS(=O)(=O)C2CC2)C1.
What is the InChIKey of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide?
The InChIKey is IDWCQZRYXLNDTO-SFYZADRCSA-N. The full InChI is InChI=1S/C9H18N2O2S/c10-6-7-1-2-8(5-7)11-14(12,13)9-3-4-9/h7-9,11H,1-6,10H2/t7-,8+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide?
N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide has a molecular weight of 218.32 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(aminomethyl)cyclopentyl]cyclopropanesulfonamide is sourced from PubChem (CID 165443916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).