2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide

C10H11Cl2NO2S — CID 103767627

IUPAC2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO2S/c11-7-3-6(8(12)16-7)9(15)13-4-10(5-14)1-2-10/h3,14H,1-2,4-5H2,(H,13,15)
InChIKeyHRLINTVAWZLGKZ-UHFFFAOYSA-N
MW280.18 g/mol
LogP2.56
Rot. Bonds4

About 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide

2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide (PubChem CID 103767627) has the molecular formula C10H11Cl2NO2S and a molecular weight of 280.18 g/mol. Its IUPAC name is 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
PubChem CID103767627
Molecular FormulaC10H11Cl2NO2S
Molecular Weight280.18 g/mol
Exact Mass278.99
IUPAC Name2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide
SMILESO=C(NCC1(CO)CC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H11Cl2NO2S/c11-7-3-6(8(12)16-7)9(15)13-4-10(5-14)1-2-10/h3,14H,1-2,4-5H2,(H,13,15)
InChIKeyHRLINTVAWZLGKZ-UHFFFAOYSA-N
XLogP2.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113263350
1-[[(2,5-dichlorothiophene-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107959705
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060
2-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]furan-3-carboxamide
CID 106687086
2-chloro-4,5-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 80717016
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
2,5-dichloro-N-[[1-(cyclopropylmethyl)-4-(cyclopropylmethylsulfonyl)cyclohexyl]methyl]thiophene-3-carboxamide
CID 15952327
2,6-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 106994170
N-[1-(aminomethyl)cyclopentyl]-2,5-dichlorothiophene-3-carboxamide
CID 103806869
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
5-amino-2-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357710

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide (CID 103767627) is 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide is O=C(NCC1(CO)CC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
The InChIKey is HRLINTVAWZLGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2S/c11-7-3-6(8(12)16-7)9(15)13-4-10(5-14)1-2-10/h3,14H,1-2,4-5H2,(H,13,15).
What are the key properties of 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide has a molecular weight of 280.18 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 103767627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).