N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H14N6OS — CID 43376991

IUPACN-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)c1ccc(N)cc1
InChIInChI=1S/C11H14N6OS/c1-16(9-5-3-8(12)4-6-9)10(18)7-19-11-13-14-15-17(11)2/h3-6H,7,12H2,1-2H3
InChIKeyNZMZYCUOGHFNRT-UHFFFAOYSA-N
MW278.34 g/mol
LogP0.55
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 43376991) has the molecular formula C11H14N6OS and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID43376991
Molecular FormulaC11H14N6OS
Molecular Weight278.34 g/mol
Exact Mass278.09
IUPAC NameN-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1nnnn1C)c1ccc(N)cc1
InChIInChI=1S/C11H14N6OS/c1-16(9-5-3-8(12)4-6-9)10(18)7-19-11-13-14-15-17(11)2/h3-6H,7,12H2,1-2H3
InChIKeyNZMZYCUOGHFNRT-UHFFFAOYSA-N
XLogP0.55
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 43376991) is N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is CN(C(=O)CSc1nnnn1C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is NZMZYCUOGHFNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6OS/c1-16(9-5-3-8(12)4-6-9)10(18)7-19-11-13-14-15-17(11)2/h3-6H,7,12H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 278.34 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 43376991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).