3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

C12H18N2OS — CID 81408603

IUPAC3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNC1CC1)c1cccs1
InChIInChI=1S/C12H18N2OS/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPSQPQNSCPQLCFX-VIFPVBQESA-N
MW238.36 g/mol
LogP2.07
Rot. Bonds6

About 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide

3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (PubChem CID 81408603) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
PubChem CID81408603
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCNC1CC1)c1cccs1
InChIInChI=1S/C12H18N2OS/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyPSQPQNSCPQLCFX-VIFPVBQESA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropylamino)-N-(2-methyl-1-thiophen-2-ylpropyl)propanamide
CID 60866044
3-(methylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide
CID 81408507
3-(cyclopropylamino)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]propanamide
CID 61274579
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
4-(methylamino)-N-(1-thiophen-2-ylethyl)butanamide
CID 60842051
3-(cyclopropylamino)-N-[(1R)-1-(furan-2-yl)ethyl]propanamide
CID 81400565
3-(cyclopropylamino)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 54862156
2-[1-[3-(cyclopropylamino)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66379233
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040
4-amino-4-methyl-N-[(1S)-1-thiophen-2-ylethyl]pentanamide
CID 81409083
5-chloro-N-[(1R)-1-thiophen-2-ylethyl]pentanamide
CID 81408351

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide (CID 81408603) is 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is C[C@H](NC(=O)CCNC1CC1)c1cccs1.
What is the InChIKey of 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
The InChIKey is PSQPQNSCPQLCFX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2OS/c1-9(11-3-2-8-16-11)14-12(15)6-7-13-10-4-5-10/h2-3,8-10,13H,4-7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide?
3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide has a molecular weight of 238.36 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[(1S)-1-thiophen-2-ylethyl]propanamide is sourced from PubChem (CID 81408603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).