3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide

C10H13ClN2OS — CID 115161504

IUPAC3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)5-13-10(14)6-3-7(12)4-6/h1-2,6-7H,3-5,12H2,(H,13,14)
InChIKeyDHZQOYSKOWIVGQ-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.75
Rot. Bonds3

About 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161504) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID115161504
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc(Cl)s2)C1
InChIInChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)5-13-10(14)6-3-7(12)4-6/h1-2,6-7H,3-5,12H2,(H,13,14)
InChIKeyDHZQOYSKOWIVGQ-UHFFFAOYSA-N
XLogP1.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(5-chlorothiophen-2-yl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119730051
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103809468
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 45243115
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 50988904
N-[(5-chlorothiophen-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 62061275
3-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclopentan-1-amine
CID 66007810
3-amino-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methyl]cyclopentane-1-carboxamide
CID 119815744
1-[(5-chlorothiophen-2-yl)methyl]-3-methoxyurea
CID 47229061
4-[[(5-chlorothiophen-2-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532810
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901
N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263
9-amino-N-[(5-ethylthiophen-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986047

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide (CID 115161504) is 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide is NC1CC(C(=O)NCc2ccc(Cl)s2)C1.
What is the InChIKey of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is DHZQOYSKOWIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-9-2-1-8(15-9)5-13-10(14)6-3-7(12)4-6/h1-2,6-7H,3-5,12H2,(H,13,14).
What are the key properties of 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).