cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine

C13H25N5S — CID 99106844

IUPACcis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCCn1nnnc1CN(C)[C@H]1CC[C@@H](SCC)C1
InChIInChI=1S/C13H25N5S/c1-4-8-18-13(14-15-16-18)10-17(3)11-6-7-12(9-11)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyAZTZEKRZEBNCPY-NWDGAFQWSA-N
MW283.44 g/mol
LogP2.19
Rot. Bonds7

About cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine

cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine (PubChem CID 99106844) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
PubChem CID99106844
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Namecis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine
SMILESCCCn1nnnc1CN(C)[C@H]1CC[C@@H](SCC)C1
InChIInChI=1S/C13H25N5S/c1-4-8-18-13(14-15-16-18)10-17(3)11-6-7-12(9-11)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1
InChIKeyAZTZEKRZEBNCPY-NWDGAFQWSA-N
XLogP2.19
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The IUPAC name of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine (CID 99106844) is cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine is CCCn1nnnc1CN(C)[C@H]1CC[C@@H](SCC)C1.
What is the InChIKey of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine?
The InChIKey is AZTZEKRZEBNCPY-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25N5S/c1-4-8-18-13(14-15-16-18)10-17(3)11-6-7-12(9-11)19-5-2/h11-12H,4-10H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine?
cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-ethylsulfanyl-N-methyl-N-[(1-propyltetrazol-5-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 99106844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).