2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol

C12H21NOS — CID 66038197

IUPAC2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
SMILESCC(C)NCC(C)(O)CCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)13-9-12(3,14)6-4-11-5-7-15-8-11/h5,7-8,10,13-14H,4,6,9H2,1-3H3
InChIKeyOYQDMWUSLBLXMK-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.43
Rot. Bonds6

About 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol

2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol (PubChem CID 66038197) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
PubChem CID66038197
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
SMILESCC(C)NCC(C)(O)CCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)13-9-12(3,14)6-4-11-5-7-15-8-11/h5,7-8,10,13-14H,4,6,9H2,1-3H3
InChIKeyOYQDMWUSLBLXMK-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038426
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
1-(2-methoxyethylamino)-3-methyl-5-thiophen-3-ylpentan-3-ol
CID 66003686
2-cyclohexyl-4-thiophen-3-ylbutan-2-ol
CID 114795051
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
2-methyl-1-(methylamino)-3-thiophen-3-ylpropan-2-ol
CID 66038642
2,6-dimethyl-1-(propan-2-ylamino)heptan-2-ol
CID 83168520
tert-butyl (3R)-3-hydroxy-4-methyl-3-(2-thiophen-3-ylethyl)pentanoate
CID 10891867
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
N-(2-hydroxy-2-methyl-4-phenylbutyl)thiophene-3-carboxamide
CID 52992676
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol (CID 66038197) is 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol is CC(C)NCC(C)(O)CCc1ccsc1.
What is the InChIKey of 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol?
The InChIKey is OYQDMWUSLBLXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)13-9-12(3,14)6-4-11-5-7-15-8-11/h5,7-8,10,13-14H,4,6,9H2,1-3H3.
What are the key properties of 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol?
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 66038197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).