N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

C12H17ClN2OS — CID 54869433

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCNC1CC1
InChIInChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyLXOMJTPTVCZFTD-UHFFFAOYSA-N
MW272.80 g/mol
LogP2.50
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide

N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (PubChem CID 54869433) has the molecular formula C12H17ClN2OS and a molecular weight of 272.80 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
PubChem CID54869433
Molecular FormulaC12H17ClN2OS
Molecular Weight272.80 g/mol
Exact Mass272.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCNC1CC1
InChIInChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3
InChIKeyLXOMJTPTVCZFTD-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.80
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559351
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-3-oxobutanamide
CID 60951660
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
2-(carbamoylamino)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 167865036
N-[(5-chlorothiophen-2-yl)methyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-N-methylacetamide
CID 79410702
N-[(4-tert-butylphenyl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 60937202
N-[(5-bromofuran-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54873279
N-[(5-chlorothiophen-2-yl)methyl]-3-[(4-fluorophenyl)sulfonylamino]-N-methylpropanamide
CID 51177409
N-[(5-chlorothiophen-2-yl)methyl]-2-(3-hydroxypyrrolidin-1-yl)-N-methylacetamide
CID 62918194
2-[2-aminoethyl(methyl)amino]-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 55103655

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide (CID 54869433) is N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)CCNC1CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
The InChIKey is LXOMJTPTVCZFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2OS/c1-15(8-10-4-5-11(13)17-10)12(16)6-7-14-9-2-3-9/h4-5,9,14H,2-3,6-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide?
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide has a molecular weight of 272.80 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide is sourced from PubChem (CID 54869433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).