cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide

C5H12N2O2S — CID 125472370

IUPACcis-(1S,3R)-3-aminocyclopentane-1-sulfonamide
SMILESN[C@@H]1CC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c6-4-1-2-5(3-4)10(7,8)9/h4-5H,1-3,6H2,(H2,7,8,9)/t4-,5+/m1/s1
InChIKeyVVZDCQJUDFSIKU-UHNVWZDZSA-N
MW164.23 g/mol
LogP-0.85
Rot. Bonds1

About cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide

cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide (PubChem CID 125472370) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-aminocyclopentane-1-sulfonamide
PubChem CID125472370
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Namecis-(1S,3R)-3-aminocyclopentane-1-sulfonamide
SMILESN[C@@H]1CC[C@H](S(N)(=O)=O)C1
InChIInChI=1S/C5H12N2O2S/c6-4-1-2-5(3-4)10(7,8)9/h4-5H,1-3,6H2,(H2,7,8,9)/t4-,5+/m1/s1
InChIKeyVVZDCQJUDFSIKU-UHNVWZDZSA-N
XLogP-0.85
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide?
The IUPAC name of cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide (CID 125472370) is cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide.
What is the SMILES notation for cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide?
The canonical SMILES for cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide is N[C@@H]1CC[C@H](S(N)(=O)=O)C1.
What is the InChIKey of cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide?
The InChIKey is VVZDCQJUDFSIKU-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-4-1-2-5(3-4)10(7,8)9/h4-5H,1-3,6H2,(H2,7,8,9)/t4-,5+/m1/s1.
What are the key properties of cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide?
cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide has a molecular weight of 164.23 g/mol, XLogP of -0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-aminocyclopentane-1-sulfonamide is sourced from PubChem (CID 125472370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).