1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine

C16H22N6O3S — CID 138058282

IUPAC1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCCN1C(=O)Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O3S/c17-26(24,25)19-12-15-8-4-5-9-21(15)16(23)10-13-11-18-22(20-13)14-6-2-1-3-7-14/h1-3,6-7,11,15,19H,4-5,8-10,12H2,(H2,17,24,25)
InChIKeySUUUYHQKMBCSGP-UHFFFAOYSA-N
MW378.46 g/mol
LogP-0.02
Rot. Bonds6

About 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine

1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine (PubChem CID 138058282) has the molecular formula C16H22N6O3S and a molecular weight of 378.46 g/mol. Its IUPAC name is 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine.

Molecular Properties

Compound Name1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine
PubChem CID138058282
Molecular FormulaC16H22N6O3S
Molecular Weight378.46 g/mol
Exact Mass378.15
IUPAC Name1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine
SMILESNS(=O)(=O)NCC1CCCCN1C(=O)Cc1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H22N6O3S/c17-26(24,25)19-12-15-8-4-5-9-21(15)16(23)10-13-11-18-22(20-13)14-6-2-1-3-7-14/h1-3,6-7,11,15,19H,4-5,8-10,12H2,(H2,17,24,25)
InChIKeySUUUYHQKMBCSGP-UHFFFAOYSA-N
XLogP-0.02
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine?
The IUPAC name of 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine (CID 138058282) is 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine.
What is the SMILES notation for 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine?
The canonical SMILES for 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine is NS(=O)(=O)NCC1CCCCN1C(=O)Cc1cnn(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine?
The InChIKey is SUUUYHQKMBCSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O3S/c17-26(24,25)19-12-15-8-4-5-9-21(15)16(23)10-13-11-18-22(20-13)14-6-2-1-3-7-14/h1-3,6-7,11,15,19H,4-5,8-10,12H2,(H2,17,24,25).
What are the key properties of 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine?
1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine has a molecular weight of 378.46 g/mol, XLogP of -0.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenyltriazol-4-yl)acetyl]-2-[(sulfamoylamino)methyl]piperidine is sourced from PubChem (CID 138058282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).