N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C9H12ClN5OS — CID 115636705

IUPACN-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H12ClN5OS/c1-6(10)4-11-8(16)5-17-9-12-13-14-15(9)7-2-3-7/h7H,1-5H2,(H,11,16)
InChIKeyYFWKNYPDGRGYED-UHFFFAOYSA-N
MW273.75 g/mol
LogP0.97
Rot. Bonds6

About N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 115636705) has the molecular formula C9H12ClN5OS and a molecular weight of 273.75 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID115636705
Molecular FormulaC9H12ClN5OS
Molecular Weight273.75 g/mol
Exact Mass273.05
IUPAC NameN-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESC=C(Cl)CNC(=O)CSc1nnnn1C1CC1
InChIInChI=1S/C9H12ClN5OS/c1-6(10)4-11-8(16)5-17-9-12-13-14-15(9)7-2-3-7/h7H,1-5H2,(H,11,16)
InChIKeyYFWKNYPDGRGYED-UHFFFAOYSA-N
XLogP0.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxypropyl)acetamide
CID 43417587
N-cyclohexyl-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244959
N-[(2-chlorophenyl)methyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 51244952
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193
N-cyano-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
CID 79194698
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 39639994
N-cyclopentyl-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 1383738
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methoxyacetamide
CID 30907405
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 115362685
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751551
2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]oxyacetamide
CID 112550936
3-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-2-methoxypropanoic acid
CID 106107842

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 115636705) is N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is C=C(Cl)CNC(=O)CSc1nnnn1C1CC1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YFWKNYPDGRGYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5OS/c1-6(10)4-11-8(16)5-17-9-12-13-14-15(9)7-2-3-7/h7H,1-5H2,(H,11,16).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 273.75 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 115636705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).