cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine

C6H13NS — CID 95566531

IUPACcis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C6H13NS/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyFBFYUFDIAMDPMV-NTSWFWBYSA-N
MW131.24 g/mol
LogP1.23
Rot. Bonds1

About cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine

cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine (PubChem CID 95566531) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine
PubChem CID95566531
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Namecis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine
SMILESCS[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C6H13NS/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1
InChIKeyFBFYUFDIAMDPMV-NTSWFWBYSA-N
XLogP1.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine (CID 95566531) is cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine is CS[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine?
The InChIKey is FBFYUFDIAMDPMV-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H13NS/c1-8-6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3/t5-,6+/m0/s1.
What are the key properties of cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine?
cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 95566531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).