2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol

C9H15NOS — CID 66038642

IUPAC2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCNCC(C)(O)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-9(11,7-10-2)5-8-3-4-12-6-8/h3-4,6,10-11H,5,7H2,1-2H3
InChIKeyMLMFSEKZIAKSRO-UHFFFAOYSA-N
MW185.29 g/mol
LogP1.26
Rot. Bonds4

About 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol

2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol (PubChem CID 66038642) has the molecular formula C9H15NOS and a molecular weight of 185.29 g/mol. Its IUPAC name is 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
PubChem CID66038642
Molecular FormulaC9H15NOS
Molecular Weight185.29 g/mol
Exact Mass185.09
IUPAC Name2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
SMILESCNCC(C)(O)Cc1ccsc1
InChIInChI=1S/C9H15NOS/c1-9(11,7-10-2)5-8-3-4-12-6-8/h3-4,6,10-11H,5,7H2,1-2H3
InChIKeyMLMFSEKZIAKSRO-UHFFFAOYSA-N
XLogP1.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
N,2-dimethyl-2-(thiophen-3-ylmethyl)but-3-en-1-amine
CID 102640556
4-methoxy-2-methyl-1-thiophen-3-ylbutan-2-ol
CID 65146654
N-tert-butyl-2,2-dimethyl-3-thiophen-3-ylpropan-1-amine
CID 62724141
N'-(3-acetamidophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852189
2-ethyl-N-methyl-2-(thiophen-3-ylmethyl)hexan-1-amine
CID 62723225
1-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 126852195
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)benzenesulfonamide
CID 126854085
3-chloro-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-4-methoxybenzenesulfonamide
CID 126852183
N'-(2-cyanophenyl)-N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)oxamide
CID 126852187
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 126852191
N-(2-hydroxy-2-methyl-3-thiophen-3-ylpropyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 126850489

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol (CID 66038642) is 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol is CNCC(C)(O)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is MLMFSEKZIAKSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS/c1-9(11,7-10-2)5-8-3-4-12-6-8/h3-4,6,10-11H,5,7H2,1-2H3.
What are the key properties of 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol?
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 185.29 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 66038642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).