N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride

C9H10ClNOS — CID 79887165

IUPACN-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
SMILESO=C(Cl)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C9H10ClNOS/c10-9(12)11(8-1-2-8)5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2
InChIKeyAENGBUGVKLRFCM-UHFFFAOYSA-N
MW215.70 g/mol
LogP3.07
Rot. Bonds3

About N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride

N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride (PubChem CID 79887165) has the molecular formula C9H10ClNOS and a molecular weight of 215.70 g/mol. Its IUPAC name is N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride.

Molecular Properties

Compound NameN-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
PubChem CID79887165
Molecular FormulaC9H10ClNOS
Molecular Weight215.70 g/mol
Exact Mass215.02
IUPAC NameN-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride
SMILESO=C(Cl)N(Cc1ccsc1)C1CC1
InChIInChI=1S/C9H10ClNOS/c10-9(12)11(8-1-2-8)5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2
InChIKeyAENGBUGVKLRFCM-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.70
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
(1R,5S)-N-cyclopropyl-N-(thiophen-3-ylmethyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 95788460
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 61166609
1-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)cyclohexane-1-carboxamide
CID 61167976
2-chloro-N-cyclopropyl-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 61167971
(2S)-2-amino-N-cyclopropyl-3-methyl-N-(thiophen-3-ylmethyl)butanamide
CID 61168167
2-[2-[cyclopropyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]sulfanylacetamide
CID 60598427
2-chloro-N-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]propanamide
CID 61439057
2-amino-N-cyclopropyl-N-(thiophen-3-ylmethyl)benzamide
CID 55138412
N-cyclopropyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 63006718
N-cyclopropyl-N-(thiophen-3-ylmethyl)-1,3-thiazolidine-4-carboxamide
CID 61165801
N-cyclopropyl-2-(2,5-dioxopyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 47500513

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The IUPAC name of N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride (CID 79887165) is N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride.
What is the SMILES notation for N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The canonical SMILES for N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride is O=C(Cl)N(Cc1ccsc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
The InChIKey is AENGBUGVKLRFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNOS/c10-9(12)11(8-1-2-8)5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2.
What are the key properties of N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride?
N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride has a molecular weight of 215.70 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(thiophen-3-ylmethyl)carbamoyl chloride is sourced from PubChem (CID 79887165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).