5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine

C12H21N5O2S — CID 79622158

IUPAC5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine
SMILESCS(=O)(=O)N1CCCC(Cn2nnc(N)c2C2CC2)C1
InChIInChI=1S/C12H21N5O2S/c1-20(18,19)16-6-2-3-9(7-16)8-17-11(10-4-5-10)12(13)14-15-17/h9-10H,2-8,13H2,1H3
InChIKeyNTGIJOSLRQHGHO-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.41
Rot. Bonds4

About 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine

5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine (PubChem CID 79622158) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine.

Molecular Properties

Compound Name5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine
PubChem CID79622158
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine
SMILESCS(=O)(=O)N1CCCC(Cn2nnc(N)c2C2CC2)C1
InChIInChI=1S/C12H21N5O2S/c1-20(18,19)16-6-2-3-9(7-16)8-17-11(10-4-5-10)12(13)14-15-17/h9-10H,2-8,13H2,1H3
InChIKeyNTGIJOSLRQHGHO-UHFFFAOYSA-N
XLogP0.41
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclobutylmethyl)-5-cyclopropyltriazol-4-amine
CID 79547670
[2-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-3-yl]methanamine
CID 79623257
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine
CID 79605027
3-[[4-(2-chloroethyl)triazol-1-yl]methyl]-1-methylsulfonylpiperidine
CID 79622809
1-[(1-methylsulfonylpiperidin-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119908997
1-[1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-yl]propan-1-amine
CID 106227548
2-(1-methylsulfonylpiperidin-3-yl)-1-pyrimidin-2-ylethanamine
CID 79610285
2-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutan-1-amine
CID 81014911
1-(2-chloroethyl)-4-[(1-methylsulfonylpiperidin-3-yl)methyl]piperazine
CID 79622215
[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119918136
2,2-dimethyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3H-indole
CID 131962697
N-methyl-1-[2-[(1-methylsulfonylpiperidin-3-yl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 79622565

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine?
The IUPAC name of 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine (CID 79622158) is 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine.
What is the SMILES notation for 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine?
The canonical SMILES for 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine is CS(=O)(=O)N1CCCC(Cn2nnc(N)c2C2CC2)C1.
What is the InChIKey of 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine?
The InChIKey is NTGIJOSLRQHGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-20(18,19)16-6-2-3-9(7-16)8-17-11(10-4-5-10)12(13)14-15-17/h9-10H,2-8,13H2,1H3.
What are the key properties of 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine?
5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine has a molecular weight of 299.40 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(1-methylsulfonylpiperidin-3-yl)methyl]triazol-4-amine is sourced from PubChem (CID 79622158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).