4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one

C13H21NOS — CID 59838371

IUPAC4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
SMILESCC(C)NC(Cc1ccsc1)C(=O)C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)13(15)12(14-10(3)4)7-11-5-6-16-8-11/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyCTIGUGUESOKWRY-UHFFFAOYSA-N
MW239.38 g/mol
LogP2.88
Rot. Bonds6

About 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one

4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one (PubChem CID 59838371) has the molecular formula C13H21NOS and a molecular weight of 239.38 g/mol. Its IUPAC name is 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one.

Molecular Properties

Compound Name4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
PubChem CID59838371
Molecular FormulaC13H21NOS
Molecular Weight239.38 g/mol
Exact Mass239.13
IUPAC Name4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one
SMILESCC(C)NC(Cc1ccsc1)C(=O)C(C)C
InChIInChI=1S/C13H21NOS/c1-9(2)13(15)12(14-10(3)4)7-11-5-6-16-8-11/h5-6,8-10,12,14H,7H2,1-4H3
InChIKeyCTIGUGUESOKWRY-UHFFFAOYSA-N
XLogP2.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-thiophen-3-ylpropan-2-ylamino)propan-1-ol
CID 115724718
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
1-[4-(2-fluorophenyl)phenyl]-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 143676805
2-(1-thiophen-3-ylpropan-2-ylamino)propane-1,3-diol
CID 115724134
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-amine
CID 61079756
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
3-hydroxy-2-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 43183385
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
CID 61473728
(2R)-2-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 28777850
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one?
The IUPAC name of 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one (CID 59838371) is 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one.
What is the SMILES notation for 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one?
The canonical SMILES for 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one is CC(C)NC(Cc1ccsc1)C(=O)C(C)C.
What is the InChIKey of 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one?
The InChIKey is CTIGUGUESOKWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NOS/c1-9(2)13(15)12(14-10(3)4)7-11-5-6-16-8-11/h5-6,8-10,12,14H,7H2,1-4H3.
What are the key properties of 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one?
4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one has a molecular weight of 239.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(propan-2-ylamino)-1-thiophen-3-ylpentan-3-one is sourced from PubChem (CID 59838371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).