N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide

C13H21N5O3S — CID 91911462

IUPACN-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C13H21N5O3S/c1-2-5-22(20,21)17-7-11(8-17)18-9-12(15-16-18)13(19)14-6-10-3-4-10/h9-11H,2-8H2,1H3,(H,14,19)
InChIKeyAVEFODYQTCPSNP-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.01
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide

N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide (PubChem CID 91911462) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide
PubChem CID91911462
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC NameN-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide
SMILESCCCS(=O)(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1
InChIInChI=1S/C13H21N5O3S/c1-2-5-22(20,21)17-7-11(8-17)18-9-12(15-16-18)13(19)14-6-10-3-4-10/h9-11H,2-8H2,1H3,(H,14,19)
InChIKeyAVEFODYQTCPSNP-UHFFFAOYSA-N
XLogP0.01
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
N-(cyclohexylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672522
N-[(3-hydroxycyclopentyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 106134225
N-(cyclopropylmethyl)-1-[1-[(2-fluorophenyl)carbamoyl]azetidin-3-yl]triazole-4-carboxamide
CID 91911455
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
1-[1-(propylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806600
1-[1-(cyclopentylmethylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311935
1-(4-aminocyclohexyl)-N-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methyl]triazole-4-carboxamide;hydrochloride
CID 154917173
4-chloro-N-[(1-propylsulfonylpiperidin-4-yl)methyl]benzamide
CID 131908741
1-(4-aminocyclohexyl)-N-[[(3S)-1-(4-methylphenyl)pyrrolidin-3-yl]methyl]triazole-4-carboxamide
CID 98313560
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
ethyl 1-(thian-4-yl)triazole-4-carboxylate
CID 122241137

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide (CID 91911462) is N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide is CCCS(=O)(=O)N1CC(n2cc(C(=O)NCC3CC3)nn2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide?
The InChIKey is AVEFODYQTCPSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-2-5-22(20,21)17-7-11(8-17)18-9-12(15-16-18)13(19)14-6-10-3-4-10/h9-11H,2-8H2,1H3,(H,14,19).
What are the key properties of N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide?
N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(1-propylsulfonylazetidin-3-yl)triazole-4-carboxamide is sourced from PubChem (CID 91911462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).