1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide

C10H19N5O2S — CID 113413001

IUPAC1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCn1ccnn1
InChIInChI=1S/C10H19N5O2S/c16-18(17,9-10-2-1-3-11-8-10)13-5-7-15-6-4-12-14-15/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyJOMRWJHTJHKGMV-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.80
Rot. Bonds6

About 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide

1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide (PubChem CID 113413001) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
PubChem CID113413001
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(CC1CCCNC1)NCCn1ccnn1
InChIInChI=1S/C10H19N5O2S/c16-18(17,9-10-2-1-3-11-8-10)13-5-7-15-6-4-12-14-15/h4,6,10-11,13H,1-3,5,7-9H2
InChIKeyJOMRWJHTJHKGMV-UHFFFAOYSA-N
XLogP-0.80
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 55201911
N-[(1-methylpyrazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 82873939
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(2-cyclopentyloxyethyl)-1-piperidin-3-ylmethanesulfonamide
CID 63829038
N-pent-4-ynyl-1-piperidin-3-ylmethanesulfonamide
CID 106222713
3-pyrrolidin-3-yl-N-[3-(triazol-1-yl)propyl]propanamide
CID 113412815
N-[2-(furan-2-yl)ethyl]-1-piperidin-3-ylmethanesulfonamide
CID 54972407
1-piperidin-3-yl-N-(2-thiophen-3-ylethyl)methanesulfonamide
CID 54972057
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 106303568
N-methyl-N-(piperidin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 106627955
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-3-ylmethanesulfonamide
CID 107164560
1-piperidin-3-yl-N-(1,3-thiazol-4-ylmethyl)methanesulfonamide
CID 63823603

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide (CID 113413001) is 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(CC1CCCNC1)NCCn1ccnn1.
What is the InChIKey of 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is JOMRWJHTJHKGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c16-18(17,9-10-2-1-3-11-8-10)13-5-7-15-6-4-12-14-15/h4,6,10-11,13H,1-3,5,7-9H2.
What are the key properties of 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide?
1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 273.36 g/mol, XLogP of -0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-yl-N-[2-(triazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 113413001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).