N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C12H15N5OS — CID 17398164

IUPACN,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15N5OS/c1-9(11(18)16(2)3)19-12-13-14-15-17(12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyTVVOPQJUXUODIA-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.23
Rot. Bonds4

About N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 17398164) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID17398164
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCC(Sc1nnnn1-c1ccccc1)C(=O)N(C)C
InChIInChI=1S/C12H15N5OS/c1-9(11(18)16(2)3)19-12-13-14-15-17(12)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyTVVOPQJUXUODIA-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N,N-dimethyl-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 8915829
(2S)-2-[1-(3-chlorophenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 8860177
(2R)-2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 7474072
2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N,N-dimethylpropanamide
CID 51210202
(2S)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 2621223
N-tert-butyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 51233862
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7465434
(2R)-N-(2-cyanoethyl)-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762387
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7757164
(2R)-2-(1-phenyltetrazol-5-yl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 9274512
(2R)-2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-methyl-N-phenylpropanamide
CID 8797844
(2S)-1-(3-chlorophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 2121300

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 17398164) is N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CC(Sc1nnnn1-c1ccccc1)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is TVVOPQJUXUODIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-9(11(18)16(2)3)19-12-13-14-15-17(12)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 17398164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).