N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide

C12H17ClN2OS — CID 114140580

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)6-8-14-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyJEDQMDHPFQMRIF-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide (PubChem CID 114140580) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
PubChem CID114140580
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
SMILESO=C(CCNC1CC1)NCCc1ccc(Cl)s1
InChIInChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)6-8-14-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16)
InChIKeyJEDQMDHPFQMRIF-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
4-[2-(5-chlorothiophen-2-yl)ethylamino]-4-oxobutanoic acid
CID 103925944
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
3-[2-(5-chlorothiophen-2-yl)ethylamino]-3-oxopropanoic acid
CID 104889314
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]acetamide;hydrochloride
CID 119296190
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 62057057
cis-(1S,3R)-3-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114138901

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide (CID 114140580) is N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide is O=C(CCNC1CC1)NCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide?
The InChIKey is JEDQMDHPFQMRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c13-11-4-3-10(17-11)5-7-15-12(16)6-8-14-9-1-2-9/h3-4,9,14H,1-2,5-8H2,(H,15,16).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide has a molecular weight of 272.80 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide is sourced from PubChem (CID 114140580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).