N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide

C16H23N5O3S — CID 92634296

IUPACN-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C16H23N5O3S/c1-25(23,24)17-10-9-13-6-4-5-11-20(13)16(22)12-21-15-8-3-2-7-14(15)18-19-21/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyAHGUEZWEDZSQGV-ZDUSSCGKSA-N
MW365.46 g/mol
LogP0.75
Rot. Bonds6

About N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 92634296) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID92634296
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC NameN-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21
InChIInChI=1S/C16H23N5O3S/c1-25(23,24)17-10-9-13-6-4-5-11-20(13)16(22)12-21-15-8-3-2-7-14(15)18-19-21/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1
InChIKeyAHGUEZWEDZSQGV-ZDUSSCGKSA-N
XLogP0.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(2R)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]cyclopentanecarboxamide
CID 92632158
2-(benzotriazol-1-yl)-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 863050
2-(benzotriazol-1-yl)-1-[(2S)-2-benzylpyrrolidin-1-yl]ethanone
CID 94614680
N-[2-[1-(2-chloroacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 54875968
2-(benzotriazol-1-yl)-1-[4-[(2S)-1-methylsulfonylpiperidin-2-yl]piperidin-1-yl]ethanone
CID 92632422
N-[2-[1-[2-(2-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009533
N-[2-[1-(2-methoxyacetyl)piperidin-2-yl]ethyl]methanesulfonamide
CID 61215593
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821
N-[2-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 110247073
N-[2-[1-[2-(4-fluorophenyl)sulfanylacetyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 87009534
(2S)-2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 94677155
2-[2-(methanesulfonamido)ethyl]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 47066287

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 92634296) is N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)Cn1nnc2ccccc21.
What is the InChIKey of N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is AHGUEZWEDZSQGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-25(23,24)17-10-9-13-6-4-5-11-20(13)16(22)12-21-15-8-3-2-7-14(15)18-19-21/h2-3,7-8,13,17H,4-6,9-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 365.46 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[2-(benzotriazol-1-yl)acetyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 92634296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).