N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide

C12H23N5O3S — CID 167856499

IUPACN-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide
SMILESCCC(O)Cn1cc(CNS(=O)(=O)N2CCCCC2)nn1
InChIInChI=1S/C12H23N5O3S/c1-2-12(18)10-16-9-11(14-15-16)8-13-21(19,20)17-6-4-3-5-7-17/h9,12-13,18H,2-8,10H2,1H3
InChIKeyNSYZSMBIPWXIII-UHFFFAOYSA-N
MW317.42 g/mol
LogP-0.13
Rot. Bonds7

About N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide

N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide (PubChem CID 167856499) has the molecular formula C12H23N5O3S and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide
PubChem CID167856499
Molecular FormulaC12H23N5O3S
Molecular Weight317.42 g/mol
Exact Mass317.15
IUPAC NameN-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide
SMILESCCC(O)Cn1cc(CNS(=O)(=O)N2CCCCC2)nn1
InChIInChI=1S/C12H23N5O3S/c1-2-12(18)10-16-9-11(14-15-16)8-13-21(19,20)17-6-4-3-5-7-17/h9,12-13,18H,2-8,10H2,1H3
InChIKeyNSYZSMBIPWXIII-UHFFFAOYSA-N
XLogP-0.13
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461469
1-(2-hydroxybutyl)triazole-4-carbaldehyde
CID 66216382
5-[1-(2-hydroxybutyl)triazol-4-yl]pentanoic acid
CID 104538828
1-[4-(1-aminoethyl)triazol-1-yl]butan-2-ol
CID 114420023
1-[4-[(1,3-benzoxazol-2-ylamino)methyl]triazol-1-yl]butan-2-ol
CID 167780197
1-[4-(methylaminomethyl)triazol-1-yl]propan-2-ol
CID 66214034
1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191790
1-(azocan-1-yl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]ethanone
CID 66192997
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]ethanamine
CID 66193513
3-[4-[(cyclopropylmethylamino)methyl]triazol-1-yl]propane-1,2-diol
CID 82843982
N-benzylpiperidine-1-sulfonamide
CID 2989594
N-[[1-(2-ethylhexyl)triazol-4-yl]methyl]propan-2-amine
CID 66193381

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide (CID 167856499) is N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide is CCC(O)Cn1cc(CNS(=O)(=O)N2CCCCC2)nn1.
What is the InChIKey of N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide?
The InChIKey is NSYZSMBIPWXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O3S/c1-2-12(18)10-16-9-11(14-15-16)8-13-21(19,20)17-6-4-3-5-7-17/h9,12-13,18H,2-8,10H2,1H3.
What are the key properties of N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide?
N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide has a molecular weight of 317.42 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxybutyl)triazol-4-yl]methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 167856499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).