N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide

C11H14ClNOS — CID 114300617

IUPACN-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
SMILESO=C(NC1(CCl)CCCC1)c1ccsc1
InChIInChI=1S/C11H14ClNOS/c12-8-11(4-1-2-5-11)13-10(14)9-3-6-15-7-9/h3,6-7H,1-2,4-5,8H2,(H,13,14)
InChIKeyXNHMJMHQIWFKDO-UHFFFAOYSA-N
MW243.76 g/mol
LogP3.03
Rot. Bonds3

About N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide

N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide (PubChem CID 114300617) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
PubChem CID114300617
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC NameN-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide
SMILESO=C(NC1(CCl)CCCC1)c1ccsc1
InChIInChI=1S/C11H14ClNOS/c12-8-11(4-1-2-5-11)13-10(14)9-3-6-15-7-9/h3,6-7H,1-2,4-5,8H2,(H,13,14)
InChIKeyXNHMJMHQIWFKDO-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
N-[1-(chloromethyl)cyclopentyl]-3-hydroxybenzamide
CID 114300478
3,5-dibromo-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 107974996
N-(1-cyanocycloheptyl)thiophene-3-carboxamide
CID 54904351
N-[1-(chloromethyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 113272407
N-[1-(chloromethyl)cyclohexyl]furan-3-carboxamide
CID 114303305
3-bromo-N-[1-(chloromethyl)cyclohexyl]thiophene-2-carboxamide
CID 114303411
2,6-dichloro-N-[1-(chloromethyl)cyclopentyl]benzamide
CID 114300519
3,5-dibromo-N-[1-(chloromethyl)cyclohexyl]benzamide
CID 107975022
5-bromo-N-[1-(chloromethyl)cyclobutyl]thiophene-3-carboxamide
CID 107966324
2-chloro-N-[1-(chloromethyl)cyclohexyl]-5-hydroxybenzamide
CID 106503132

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide (CID 114300617) is N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide is O=C(NC1(CCl)CCCC1)c1ccsc1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide?
The InChIKey is XNHMJMHQIWFKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-8-11(4-1-2-5-11)13-10(14)9-3-6-15-7-9/h3,6-7H,1-2,4-5,8H2,(H,13,14).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide?
N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide has a molecular weight of 243.76 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]thiophene-3-carboxamide is sourced from PubChem (CID 114300617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).