3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide

C13H22N2OS — CID 54953742

IUPAC3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(C)NCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-10(2)14-6-4-13(16)15-11(3)8-12-5-7-17-9-12/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyUHYZAJFDJWBKKM-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.18
Rot. Bonds7

About 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide

3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide (PubChem CID 54953742) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
PubChem CID54953742
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC Name3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
SMILESCC(C)NCCC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C13H22N2OS/c1-10(2)14-6-4-13(16)15-11(3)8-12-5-7-17-9-12/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,15,16)
InChIKeyUHYZAJFDJWBKKM-UHFFFAOYSA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
2-(1-aminocyclobutyl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 79853944
2-[1-(aminomethyl)cyclobutyl]-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 81168869
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254
3-methyl-N-(1-thiophen-3-ylpropan-2-yl)but-3-en-1-amine
CID 114472154
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
4-amino-3-methoxy-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 103155651
1-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)cyclobutane-1-carboxamide
CID 80588942
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The IUPAC name of 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide (CID 54953742) is 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The canonical SMILES for 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide is CC(C)NCCC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
The InChIKey is UHYZAJFDJWBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-10(2)14-6-4-13(16)15-11(3)8-12-5-7-17-9-12/h5,7,9-11,14H,4,6,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide?
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide has a molecular weight of 254.40 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide is sourced from PubChem (CID 54953742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).