1-amino-1-(3-methylthiophen-2-yl)butan-2-ol

C9H15NOS — CID 130144766

IUPAC1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
SMILESCCC(O)C(N)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-3-7(11)8(10)9-6(2)4-5-12-9/h4-5,7-8,11H,3,10H2,1-2H3
InChIKeyCMRJJPYGRPCRQK-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.83
Rot. Bonds3

About 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol

1-amino-1-(3-methylthiophen-2-yl)butan-2-ol (PubChem CID 130144766) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
PubChem CID130144766
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name1-amino-1-(3-methylthiophen-2-yl)butan-2-ol
SMILESCCC(O)C(N)c1sccc1C
InChIInChI=1S/C9H15NOS/c1-3-7(11)8(10)9-6(2)4-5-12-9/h4-5,7-8,11H,3,10H2,1-2H3
InChIKeyCMRJJPYGRPCRQK-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-methyl-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222735
2,3-diamino-3-(3-methylthiophen-2-yl)propan-1-ol
CID 116942474
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
2-methoxy-1-(3-methylthiophen-2-yl)butan-1-ol
CID 116710769
3-ethyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 82927974
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
2-amino-1-(3-methylthiophen-2-yl)butane-1,4-diol
CID 83929127
3-methyl-1-(3-methylthiophen-2-yl)pentan-1-ol
CID 65148368
3-[2-amino-1-(3-methylthiophen-2-yl)butyl]sulfanylbutan-2-ol
CID 107770577
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
3,4-dihydroxy-4-(3-methylthiophen-2-yl)butanoic acid
CID 171877069
2-(3-methylthiophen-2-yl)butane-1-thiol
CID 123457832

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol?
The IUPAC name of 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol (CID 130144766) is 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol.
What is the SMILES notation for 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol?
The canonical SMILES for 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol is CCC(O)C(N)c1sccc1C.
What is the InChIKey of 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol?
The InChIKey is CMRJJPYGRPCRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-3-7(11)8(10)9-6(2)4-5-12-9/h4-5,7-8,11H,3,10H2,1-2H3.
What are the key properties of 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol?
1-amino-1-(3-methylthiophen-2-yl)butan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(3-methylthiophen-2-yl)butan-2-ol is sourced from PubChem (CID 130144766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).