3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide

C10H12ClNO2S — CID 115455299

IUPAC3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1sccc1Cl
InChIInChI=1S/C10H12ClNO2S/c11-7-1-4-15-8(7)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14)
InChIKeyHRNSRPRXNNXODJ-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.90
Rot. Bonds4

About 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide

3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide (PubChem CID 115455299) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide
PubChem CID115455299
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(CO)CC1)c1sccc1Cl
InChIInChI=1S/C10H12ClNO2S/c11-7-1-4-15-8(7)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14)
InChIKeyHRNSRPRXNNXODJ-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide (CID 115455299) is 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide is O=C(NCC1(CO)CC1)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
The InChIKey is HRNSRPRXNNXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c11-7-1-4-15-8(7)9(14)12-5-10(6-13)2-3-10/h1,4,13H,2-3,5-6H2,(H,12,14).
What are the key properties of 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide?
3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide has a molecular weight of 245.73 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115455299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).