1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine

C12H23N5S — CID 104755169

IUPAC1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCNC(CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C12H23N5S/c1-3-13-11(10-7-5-4-6-8-10)9-18-12-14-15-16-17(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyJTYWSPCKWCEQQG-UHFFFAOYSA-N
MW269.42 g/mol
LogP1.86
Rot. Bonds6

About 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine

1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine (PubChem CID 104755169) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
PubChem CID104755169
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine
SMILESCCNC(CSc1nnnn1C)C1CCCCC1
InChIInChI=1S/C12H23N5S/c1-3-13-11(10-7-5-4-6-8-10)9-18-12-14-15-16-17(12)2/h10-11,13H,3-9H2,1-2H3
InChIKeyJTYWSPCKWCEQQG-UHFFFAOYSA-N
XLogP1.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-methyltetrazol-5-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755175
N-ethyl-1-(1-methyltetrazol-5-yl)sulfanylpropan-2-amine
CID 64619826
1-cyclohexyl-N-ethyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 104756010
1-cyclohexyl-N-ethyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 104755844
1-cyclohexyl-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylethanamine
CID 113449522
3-[2-cyclopentyl-2-(ethylamino)ethyl]sulfanyl-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 104755592
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
CID 64633892
1-cyclohexyl-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 115576378
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
N-ethyl-1-(4-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanamine
CID 64621193
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]cyclopropanamine
CID 61385651
1-cyclopropyl-N-ethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanamine
CID 64650644

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The IUPAC name of 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine (CID 104755169) is 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine.
What is the SMILES notation for 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The canonical SMILES for 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine is CCNC(CSc1nnnn1C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
The InChIKey is JTYWSPCKWCEQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-13-11(10-7-5-4-6-8-10)9-18-12-14-15-16-17(12)2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine?
1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine has a molecular weight of 269.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-ethyl-2-(1-methyltetrazol-5-yl)sulfanylethanamine is sourced from PubChem (CID 104755169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).