1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one

C11H14ClNOS — CID 116559351

IUPAC1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c12-11-4-3-10(15-11)7-9(14)5-6-13-8-1-2-8/h3-4,8,13H,1-2,5-7H2
InChIKeyNPXGLENWVFUQMS-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.66
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one

1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one (PubChem CID 116559351) has the molecular formula C11H14ClNOS and a molecular weight of 243.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
PubChem CID116559351
Molecular FormulaC11H14ClNOS
Molecular Weight243.76 g/mol
Exact Mass243.05
IUPAC Name1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
SMILESO=C(CCNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNOS/c12-11-4-3-10(15-11)7-9(14)5-6-13-8-1-2-8/h3-4,8,13H,1-2,5-7H2
InChIKeyNPXGLENWVFUQMS-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
4-(tert-butylamino)-1-(5-chlorothiophen-2-yl)butan-2-one
CID 116557955
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
1-(5-chlorothiophen-2-yl)tridecan-2-one
CID 114967561
N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
1-(5-chlorothiophen-2-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583465
1-(5-chlorothiophen-2-yl)-4-pyridin-4-ylbutan-2-one
CID 105088928
1-(5-chlorothiophen-2-yl)-3-phenylpropan-2-one
CID 62622059

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one (CID 116559351) is 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one is O=C(CCNC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
The InChIKey is NPXGLENWVFUQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNOS/c12-11-4-3-10(15-11)7-9(14)5-6-13-8-1-2-8/h3-4,8,13H,1-2,5-7H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one?
1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one has a molecular weight of 243.76 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one is sourced from PubChem (CID 116559351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).