[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine

C12H21N5S — CID 43530581

IUPAC[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nnnn2C2CC2)C1
InChIInChI=1S/C12H21N5S/c1-8-2-3-9(7-13)11(6-8)18-12-14-15-16-17(12)10-4-5-10/h8-11H,2-7,13H2,1H3
InChIKeyZCAGLTDFBDFCER-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.86
Rot. Bonds4

About [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine

[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine (PubChem CID 43530581) has the molecular formula C12H21N5S and a molecular weight of 267.40 g/mol. Its IUPAC name is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
PubChem CID43530581
Molecular FormulaC12H21N5S
Molecular Weight267.40 g/mol
Exact Mass267.15
IUPAC Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine
SMILESCC1CCC(CN)C(Sc2nnnn2C2CC2)C1
InChIInChI=1S/C12H21N5S/c1-8-2-3-9(7-13)11(6-8)18-12-14-15-16-17(12)10-4-5-10/h8-11H,2-7,13H2,1H3
InChIKeyZCAGLTDFBDFCER-UHFFFAOYSA-N
XLogP1.86
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(1-cyclopentyltetrazol-5-yl)sulfanylcycloheptyl]methanamine
CID 43530537
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexane-1-carboxylic acid
CID 63098588
(4-methyl-2-pyrimidin-2-ylsulfanylcyclohexyl)methanamine
CID 43529986
[4-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanamine
CID 60876574
[4-(2-methylbutan-2-yl)-2-(1-methyltetrazol-5-yl)sulfanylcyclohexyl]methanamine
CID 43530201
trans-(1R,2R)-2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexan-1-ol
CID 102732760
(4-methyl-2-phenylsulfanylcyclohexyl)methanamine
CID 43530146
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methylcyclohexan-1-amine
CID 64649338
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64734796
2-(1-cyclopropyltetrazol-5-yl)sulfanylcyclopentane-1-carbonitrile
CID 43293137
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-4-propylcyclohexyl]methanamine
CID 63404646
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64649515

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine?
The IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine (CID 43530581) is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine?
The canonical SMILES for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine is CC1CCC(CN)C(Sc2nnnn2C2CC2)C1.
What is the InChIKey of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine?
The InChIKey is ZCAGLTDFBDFCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5S/c1-8-2-3-9(7-13)11(6-8)18-12-14-15-16-17(12)10-4-5-10/h8-11H,2-7,13H2,1H3.
What are the key properties of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine?
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine has a molecular weight of 267.40 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 43530581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).