4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide

C13H16N6OS — CID 63358609

IUPAC4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Sc2nnnn2C2CC2)c1
InChIInChI=1S/C13H16N6OS/c1-18(2)12(20)8-3-6-10(14)11(7-8)21-13-15-16-17-19(13)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyQFNBTIAFDKRURH-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.44
Rot. Bonds4

About 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide

4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide (PubChem CID 63358609) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
PubChem CID63358609
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(Sc2nnnn2C2CC2)c1
InChIInChI=1S/C13H16N6OS/c1-18(2)12(20)8-3-6-10(14)11(7-8)21-13-15-16-17-19(13)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3
InChIKeyQFNBTIAFDKRURH-UHFFFAOYSA-N
XLogP1.44
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]ethanone
CID 55131693
4-amino-3-(1-methyltetrazol-5-yl)sulfanylbenzoic acid
CID 82796064
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-methylbenzoic acid
CID 55105953
4-amino-N,N-dimethyl-3-(1,3,4-thiadiazol-2-ylsulfanyl)benzamide
CID 63358698
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-3-nitrobenzamide
CID 60567794
4-amino-N,N-dimethyl-3-(oxan-4-ylsulfanyl)benzamide
CID 63358660
ethyl 4-amino-3-(1-methyltetrazol-5-yl)sulfanylbenzoate
CID 82795987
5-(1-cyclopropyltetrazol-5-yl)sulfanylisoquinolin-8-amine
CID 43448960
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-methylbenzaldehyde
CID 63803713
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(difluoromethoxy)-5-fluoroaniline
CID 63594401
1-[4-bromo-2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]propan-2-amine
CID 63818433

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide (CID 63358609) is 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(Sc2nnnn2C2CC2)c1.
What is the InChIKey of 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide?
The InChIKey is QFNBTIAFDKRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-18(2)12(20)8-3-6-10(14)11(7-8)21-13-15-16-17-19(13)9-4-5-9/h3,6-7,9H,4-5,14H2,1-2H3.
What are the key properties of 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide?
4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide has a molecular weight of 304.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide is sourced from PubChem (CID 63358609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).