N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

C12H15N5OS — CID 18731478

IUPACN,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCN(C)C(=O)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C12H15N5OS/c1-16(2)11(18)8-9-19-12-13-14-15-17(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyHJGNQQPKJGWAHP-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.23
Rot. Bonds5

About N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide

N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (PubChem CID 18731478) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
PubChem CID18731478
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC NameN,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide
SMILESCN(C)C(=O)CCSc1nnnn1-c1ccccc1
InChIInChI=1S/C12H15N5OS/c1-16(2)11(18)8-9-19-12-13-14-15-17(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyHJGNQQPKJGWAHP-UHFFFAOYSA-N
XLogP1.23
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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

1-(2-hydroxyphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731404
tert-butyl 3-(1-phenyltetrazol-5-yl)sulfanylpropanoate
CID 115580444
2-(1-phenyltetrazol-5-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 1449901
S-(1-phenyltetrazol-5-yl) 2-(1-phenyltetrazol-5-yl)sulfanylethanethioate
CID 3359421
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562
2-ethoxy-4-(1-phenyltetrazol-5-yl)sulfanylbutanoic acid
CID 63098592
1-(2-hydroxy-5-methylphenyl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 18731400
2-(1-phenyltetrazol-5-yl)sulfanyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]acetamide
CID 17325155
3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 42067106
2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoic acid
CID 43538118
N',N'-dimethyl-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]ethane-1,2-diamine
CID 62578094

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The IUPAC name of N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide (CID 18731478) is N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide.
What is the SMILES notation for N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The canonical SMILES for N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is CN(C)C(=O)CCSc1nnnn1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
The InChIKey is HJGNQQPKJGWAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-16(2)11(18)8-9-19-12-13-14-15-17(12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide?
N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide has a molecular weight of 277.35 g/mol, XLogP of 1.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanamide is sourced from PubChem (CID 18731478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).