2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide

C10H13ClN2OS — CID 114998144

IUPAC2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1N)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-5(8-2-3-9(11)15-8)13-10(14)6-4-7(6)12/h2-3,5-7H,4,12H2,1H3,(H,13,14)
InChIKeySQNNRTMCQKNJBQ-UHFFFAOYSA-N
MW244.75 g/mol
LogP1.93
Rot. Bonds3

About 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide

2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 114998144) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID114998144
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1CC1N)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClN2OS/c1-5(8-2-3-9(11)15-8)13-10(14)6-4-7(6)12/h2-3,5-7H,4,12H2,1H3,(H,13,14)
InChIKeySQNNRTMCQKNJBQ-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783143
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N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
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N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43705073
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
CID 115579886
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpropanamide
CID 54925184
N-[1-(5-chlorothiophen-2-yl)ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119287384
2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
3-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,2,3-trimethylbutanamide
CID 65264508
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethylpiperidine-2-carboxamide
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1-[1-(5-chlorothiophen-2-yl)ethyl]-3-cyclobutylurea
CID 115617781

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide (CID 114998144) is 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1CC1N)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SQNNRTMCQKNJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c1-5(8-2-3-9(11)15-8)13-10(14)6-4-7(6)12/h2-3,5-7H,4,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide?
2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 244.75 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114998144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).