3-amino-4-methyl-1-thiophen-2-ylpentan-1-one

C10H15NOS — CID 116606438

IUPAC3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
SMILESCC(C)C(N)CC(=O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7-8H,6,11H2,1-2H3
InChIKeyZCIFIUQGQXJMPR-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one

3-amino-4-methyl-1-thiophen-2-ylpentan-1-one (PubChem CID 116606438) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one.

Molecular Properties

Compound Name3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
PubChem CID116606438
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name3-amino-4-methyl-1-thiophen-2-ylpentan-1-one
SMILESCC(C)C(N)CC(=O)c1cccs1
InChIInChI=1S/C10H15NOS/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7-8H,6,11H2,1-2H3
InChIKeyZCIFIUQGQXJMPR-UHFFFAOYSA-N
XLogP2.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
CID 908362
3-methyl-1-thiophen-2-ylpentan-1-one
CID 62621870
2-amino-4-oxo-4-thiophen-2-ylbutanoic acid;hydrochloride
CID 71756870
4-amino-1-thiophen-2-ylpentan-1-one
CID 116571816
3-amino-1-(3-chlorothiophen-2-yl)-4-methylpentan-1-one
CID 107361549
3-methyl-1-thiophen-2-ylhexan-1-one
CID 62621869
3-methyl-1-thiophen-2-ylhexane-1,4-dione
CID 14866583
N-(3-amino-4-methylpentyl)-N-methyl-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119657257
2-methyl-1-phenyl-4-thiophen-2-ylbutane-1,4-dione
CID 2802249
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
methyl-bis(3-oxo-3-thiophen-2-ylpropyl)azanium
CID 2064474
1-thiophen-2-ylpropan-1-one
CID 26179

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one?
The IUPAC name of 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one (CID 116606438) is 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one.
What is the SMILES notation for 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one?
The canonical SMILES for 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one is CC(C)C(N)CC(=O)c1cccs1.
What is the InChIKey of 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one?
The InChIKey is ZCIFIUQGQXJMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-7(2)8(11)6-9(12)10-4-3-5-13-10/h3-5,7-8H,6,11H2,1-2H3.
What are the key properties of 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one?
3-amino-4-methyl-1-thiophen-2-ylpentan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-1-thiophen-2-ylpentan-1-one is sourced from PubChem (CID 116606438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).