N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide

C7H13N5O2S — CID 106162645

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2S/c1-4(5(3-13)15-2)8-7(14)6-9-11-12-10-6/h4-5,13H,3H2,1-2H3,(H,8,14)(H,9,10,11,12)
InChIKeyGGEMIZKDPRNGLJ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.96
Rot. Bonds5

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide (PubChem CID 106162645) has the molecular formula C7H13N5O2S and a molecular weight of 231.28 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide
PubChem CID106162645
Molecular FormulaC7H13N5O2S
Molecular Weight231.28 g/mol
Exact Mass231.08
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide
SMILESCSC(CO)C(C)NC(=O)c1nn[nH]n1
InChIInChI=1S/C7H13N5O2S/c1-4(5(3-13)15-2)8-7(14)6-9-11-12-10-6/h4-5,13H,3H2,1-2H3,(H,8,14)(H,9,10,11,12)
InChIKeyGGEMIZKDPRNGLJ-UHFFFAOYSA-N
XLogP-0.96
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-5-propyl-1H-1,2,4-triazole-3-carboxamide
CID 114152193
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103798985
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyrimidine-5-carboxamide
CID 104629795
2,6-dichloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-4-carboxamide
CID 103801255
4,5-difluoro-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)carbamoyl]benzoic acid
CID 106155652
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-2-carboxamide
CID 103799099
2,3,4,5-tetrafluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)benzamide
CID 103867152
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
5-hydroxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 103801487
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpyrazole-3-carboxamide
CID 103801486

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide (CID 106162645) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide is CSC(CO)C(C)NC(=O)c1nn[nH]n1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide?
The InChIKey is GGEMIZKDPRNGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2S/c1-4(5(3-13)15-2)8-7(14)6-9-11-12-10-6/h4-5,13H,3H2,1-2H3,(H,8,14)(H,9,10,11,12).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide has a molecular weight of 231.28 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 106162645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).