1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine

C16H23N5O2S — CID 154736430

IUPAC1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine
SMILESCn1nnc2cc(CNC3CCN(S(=O)(=O)C4CC4)CC3)ccc21
InChIInChI=1S/C16H23N5O2S/c1-20-16-5-2-12(10-15(16)18-19-20)11-17-13-6-8-21(9-7-13)24(22,23)14-3-4-14/h2,5,10,13-14,17H,3-4,6-9,11H2,1H3
InChIKeyXOUBFFDQHMCGEH-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.01
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine

1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine (PubChem CID 154736430) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine
PubChem CID154736430
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine
SMILESCn1nnc2cc(CNC3CCN(S(=O)(=O)C4CC4)CC3)ccc21
InChIInChI=1S/C16H23N5O2S/c1-20-16-5-2-12(10-15(16)18-19-20)11-17-13-6-8-21(9-7-13)24(22,23)14-3-4-14/h2,5,10,13-14,17H,3-4,6-9,11H2,1H3
InChIKeyXOUBFFDQHMCGEH-UHFFFAOYSA-N
XLogP1.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
1-(oxan-4-ylsulfonyl)-N-(1,2-thiazol-4-ylmethyl)piperidin-4-amine
CID 146145032
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
methyl 4-[(1-methylbenzotriazol-5-yl)methylsulfamoyl]benzoate
CID 66837875
1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-3-carboxamide
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N-[(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutanamine
CID 82495021
3,5-dimethyl-N-[(1-methylbenzotriazol-5-yl)methyl]benzamide
CID 53014035
1-methyl-5-(2-methylpropyl)benzotriazole
CID 59731307
N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
but-1-ene;(2S)-1-formyl-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 153347205
2,2-dimethyl-4-[(1-methylbenzotriazol-5-yl)methylamino]butanoic acid
CID 122127016
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine (CID 154736430) is 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine is Cn1nnc2cc(CNC3CCN(S(=O)(=O)C4CC4)CC3)ccc21.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is XOUBFFDQHMCGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-20-16-5-2-12(10-15(16)18-19-20)11-17-13-6-8-21(9-7-13)24(22,23)14-3-4-14/h2,5,10,13-14,17H,3-4,6-9,11H2,1H3.
What are the key properties of 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine?
1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(1-methylbenzotriazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 154736430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).