cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

C13H25N5S — CID 99828166

IUPACcis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@@H]1NCc1nnnn1C(C)C
InChIInChI=1S/C13H25N5S/c1-4-19-12-8-6-5-7-11(12)14-9-13-15-16-17-18(13)10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyWZQZQZLTAFDQBZ-NWDGAFQWSA-N
MW283.44 g/mol
LogP2.41
Rot. Bonds6

About cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine

cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 99828166) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID99828166
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Namecis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine
SMILESCCS[C@@H]1CCCC[C@@H]1NCc1nnnn1C(C)C
InChIInChI=1S/C13H25N5S/c1-4-19-12-8-6-5-7-11(12)14-9-13-15-16-17-18(13)10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1
InChIKeyWZQZQZLTAFDQBZ-NWDGAFQWSA-N
XLogP2.41
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine with MolForge

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Related Compounds

N-[(4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl]-1-(ethylthio)propan-2-amine
CID 56709396
1-Cyclohexyl-5-((propylamino)methyl)-1H-tetrazole hydrochloride
CID 3031891
1-Cyclohexyl-5-((ethylamino)methyl)-1H-tetrazole hydrochloride
CID 3031887
3-[(1-cyclohexyltetrazol-5-yl)methylsulfanyl]-N-ethylpropanamide
CID 13208275
3-Hexadecylthio-2-(5-methyl-1H-tetrazol-1-yl)propylamine
CID 14835004
1-(1-cyclohexyltetrazol-5-yl)-N-methylmethanamine
CID 62737075
N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-2-amine
CID 62737239
N-[(1-cyclohexyltetrazol-5-yl)methyl]ethanamine
CID 3031888
N-[(1-cyclohexyltetrazol-5-yl)methyl]propan-1-amine
CID 3031892
4-[(1-Cyclopentyltetrazol-5-yl)methyl]thiomorpholin-4-ium
CID 7140546
4-[(1S)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
CID 7140552
4-[(1R)-1-(1-cyclohexyltetrazol-5-yl)-2-methylpropyl]thiomorpholin-4-ium
CID 7140553

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine (CID 99828166) is cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is CCS[C@@H]1CCCC[C@@H]1NCc1nnnn1C(C)C.
What is the InChIKey of cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is WZQZQZLTAFDQBZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H25N5S/c1-4-19-12-8-6-5-7-11(12)14-9-13-15-16-17-18(13)10(2)3/h10-12,14H,4-9H2,1-3H3/t11-,12+/m0/s1.
What are the key properties of cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine?
cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 283.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-ethylsulfanyl-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 99828166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).