2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one

C10H15NOS — CID 116610816

IUPAC2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(CN)C(=O)c1ccsc1
InChIInChI=1S/C10H15NOS/c1-3-10(2,7-11)9(12)8-4-5-13-6-8/h4-6H,3,7,11H2,1-2H3
InChIKeyLSSORIUGUADHER-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.31
Rot. Bonds4

About 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one

2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one (PubChem CID 116610816) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
PubChem CID116610816
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one
SMILESCCC(C)(CN)C(=O)c1ccsc1
InChIInChI=1S/C10H15NOS/c1-3-10(2,7-11)9(12)8-4-5-13-6-8/h4-6H,3,7,11H2,1-2H3
InChIKeyLSSORIUGUADHER-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-1-thiophen-3-ylbutan-1-one
CID 103446763
2-(4-aminophenyl)-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116598696
2-(aminomethyl)-2-methyl-1-(4-phenylphenyl)butan-1-one
CID 116610814
2-methyl-2-methylsulfanyl-1-thiophen-3-ylpropan-1-one
CID 130648516
2-methyl-2-piperidin-1-yl-1-thiophen-3-ylbutan-1-one
CID 79065877
2-(aminomethyl)-2-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116610906
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]thiophene-3-carboxamide
CID 119569676
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
3-amino-2-methyl-1-thiophen-3-ylpropan-1-one
CID 116564427
6-amino-4-ethyl-1-thiophen-3-ylhexan-1-one
CID 116578135
3-methyl-3-(thiophene-3-carbonylamino)pentanoic acid
CID 115730873

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one (CID 116610816) is 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one is CCC(C)(CN)C(=O)c1ccsc1.
What is the InChIKey of 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one?
The InChIKey is LSSORIUGUADHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-3-10(2,7-11)9(12)8-4-5-13-6-8/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one?
2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one has a molecular weight of 197.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-methyl-1-thiophen-3-ylbutan-1-one is sourced from PubChem (CID 116610816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).