3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide

C10H14N6OS — CID 71866653

IUPAC3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESCn1nnnc1SCCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C10H14N6OS/c1-16-10(13-14-15-16)18-6-4-9(17)12-7-8-3-2-5-11-8/h2-3,5,11H,4,6-7H2,1H3,(H,12,17)
InChIKeyOSHQGYSGBDMARN-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.34
Rot. Bonds6

About 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide

3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide (PubChem CID 71866653) has the molecular formula C10H14N6OS and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
PubChem CID71866653
Molecular FormulaC10H14N6OS
Molecular Weight266.33 g/mol
Exact Mass266.09
IUPAC Name3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide
SMILESCn1nnnc1SCCC(=O)NCc1ccc[nH]1
InChIInChI=1S/C10H14N6OS/c1-16-10(13-14-15-16)18-6-4-9(17)12-7-8-3-2-5-11-8/h2-3,5,11H,4,6-7H2,1H3,(H,12,17)
InChIKeyOSHQGYSGBDMARN-UHFFFAOYSA-N
XLogP0.34
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(6-methyl-2-pyridinyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 47353750
3-(1-methyltetrazol-5-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 47318483
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(2R)-2-phenylbutyl]propanamide
CID 94645213
3-(1-methyltetrazol-5-yl)sulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 55972416
N-(2-chlorophenyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 17387870
4-(1-methyltetrazol-5-yl)sulfanylbutan-2-one
CID 3613438
N-[(2-fluorophenyl)methyl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 9231138
N-(2,2-diethyl-4-hydroxybutyl)-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 71917015
methyl (3S)-3-[3-(1-methyltetrazol-5-yl)sulfanylpropanoylamino]-3-phenylpropanoate
CID 94645364
3-(1-methyltetrazol-5-yl)sulfanyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 42930160
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
4-amino-N-(1H-pyrrol-2-ylmethyl)pentanamide
CID 115156710

Frequently Asked Questions

What is the IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The IUPAC name of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide (CID 71866653) is 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The canonical SMILES for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide is Cn1nnnc1SCCC(=O)NCc1ccc[nH]1.
What is the InChIKey of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
The InChIKey is OSHQGYSGBDMARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6OS/c1-16-10(13-14-15-16)18-6-4-9(17)12-7-8-3-2-5-11-8/h2-3,5,11H,4,6-7H2,1H3,(H,12,17).
What are the key properties of 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide?
3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide has a molecular weight of 266.33 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyltetrazol-5-yl)sulfanyl-N-(1H-pyrrol-2-ylmethyl)propanamide is sourced from PubChem (CID 71866653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).