3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide

C12H18N2OS — CID 62057057

IUPAC3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNC2CC2)s1
InChIInChI=1S/C12H18N2OS/c1-9-2-5-11(16-9)8-14-12(15)6-7-13-10-3-4-10/h2,5,10,13H,3-4,6-8H2,1H3,(H,14,15)
InChIKeyYWAGANGMGUBCTI-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.81
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide

3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide (PubChem CID 62057057) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
PubChem CID62057057
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNC2CC2)s1
InChIInChI=1S/C12H18N2OS/c1-9-2-5-11(16-9)8-14-12(15)6-7-13-10-3-4-10/h2,5,10,13H,3-4,6-8H2,1H3,(H,14,15)
InChIKeyYWAGANGMGUBCTI-UHFFFAOYSA-N
XLogP1.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-methylthiophen-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 62058099
N-[(5-methylthiophen-2-yl)methyl]cyclopropanamine;hydrochloride
CID 17294982
2-hydroxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 130685032
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
methyl 4-[(5-methylthiophen-2-yl)methylamino]-4-oxobutanoate
CID 110733948
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
N-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)propanamide
CID 114140580
6-amino-N-[(5-methylthiophen-2-yl)methyl]hexanamide
CID 62058651
7-amino-N-[(5-methylthiophen-2-yl)methyl]heptanamide
CID 55029800
4-methyl-N-[(5-methylthiophen-2-yl)methyl]cyclohexan-1-amine
CID 29036169
3-(cyclopropylamino)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 61208786
2-methoxy-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 60776039

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide (CID 62057057) is 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCNC2CC2)s1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
The InChIKey is YWAGANGMGUBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9-2-5-11(16-9)8-14-12(15)6-7-13-10-3-4-10/h2,5,10,13H,3-4,6-8H2,1H3,(H,14,15).
What are the key properties of 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide?
3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide has a molecular weight of 238.36 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(5-methylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 62057057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).