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

C14H24N2OS — CID 81409142

IUPACN-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
SMILESCC(C)CCNC(=O)C(C)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-8-15-14(17)12(4)16-11(3)13-6-5-9-18-13/h5-6,9-12,16H,7-8H2,1-4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyYVILTSKOMVRTLD-PXYINDEMSA-N
MW268.43 g/mol
LogP2.95
Rot. Bonds7

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

N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide (PubChem CID 81409142) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
PubChem CID81409142
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
SMILESCC(C)CCNC(=O)C(C)N[C@@H](C)c1cccs1
InChIInChI=1S/C14H24N2OS/c1-10(2)7-8-15-14(17)12(4)16-11(3)13-6-5-9-18-13/h5-6,9-12,16H,7-8H2,1-4H3,(H,15,17)/t11-,12?/m0/s1
InChIKeyYVILTSKOMVRTLD-PXYINDEMSA-N
XLogP2.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide
CID 81408171
N-propan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43398665
N-(3-methylbutyl)-2-[1-(5-methylthiophen-2-yl)ethylamino]propanamide
CID 61473794
N-pentan-2-yl-2-(1-thiophen-2-ylethylamino)propanamide
CID 43420221
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
(2R)-2-[[(1S)-1-thiophen-2-ylethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)propanamide
CID 124625732
N-(3-methylbutyl)-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]propanamide
CID 78963907
N-ethyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]propanamide
CID 43226431
2,6-dimethyl-N-(1-thiophen-2-ylethyl)heptan-4-amine
CID 43104723
N,4-dimethyl-2-(1-thiophen-2-ylethylamino)pentanamide
CID 43750667
2-[(2-hydroxy-2-thiophen-2-ylethyl)amino]-N-(2-methylpropyl)propanamide
CID 113407006
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The IUPAC name of N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide (CID 81409142) is N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide is CC(C)CCNC(=O)C(C)N[C@@H](C)c1cccs1.
What is the InChIKey of N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
The InChIKey is YVILTSKOMVRTLD-PXYINDEMSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10(2)7-8-15-14(17)12(4)16-11(3)13-6-5-9-18-13/h5-6,9-12,16H,7-8H2,1-4H3,(H,15,17)/t11-,12?/m0/s1.
What are the key properties of N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide?
N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide has a molecular weight of 268.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[[(1S)-1-thiophen-2-ylethyl]amino]propanamide is sourced from PubChem (CID 81409142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).