4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol

C12H21NOS — CID 66002471

IUPAC4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)8-13-6-5-12(3,14)11-4-7-15-9-11/h4,7,9-10,13-14H,5-6,8H2,1-3H3
InChIKeySYCDPIYRVYDYLX-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.59
Rot. Bonds6

About 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol

4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol (PubChem CID 66002471) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol
PubChem CID66002471
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol
SMILESCC(C)CNCCC(C)(O)c1ccsc1
InChIInChI=1S/C12H21NOS/c1-10(2)8-13-6-5-12(3,14)11-4-7-15-9-11/h4,7,9-10,13-14H,5-6,8H2,1-3H3
InChIKeySYCDPIYRVYDYLX-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl(((2-hydroxy-2-(thiophen-3-yl)propyl)sulfamoyl))methylamine
CID 75387201
1-Butanol, 3-(diethylamino)-1,1-di(thien-3-yl)-, hydrochloride
CID 28581
3-(Piperidin-1-yl)-1,1-di(thiophen-3-yl)butan-1-ol--hydrogen bromide (1/1)
CID 28587
1-Propanol, 3-(dimethylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205156
1-Propanol, 3-(dipropylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205158
1-Propanol, 3-(dibutylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 205160
1-Propanol, 3-(diethylamino)-1,1-di(thien-3-yl)-, hydrobromide
CID 206201
3-Thiophenemethanol, alpha-(1-(isopropylamino)ethyl)-, hydrochloride
CID 208082
3-Thiophenemethanol, alpha-(1-(isobutylamino)ethyl)-, hydrochloride
CID 208101
3-Thiophenemethanol, alpha-(1-(sec-butylamino)ethyl)-, hydrochloride
CID 208103
2-(Methylamino)-1-(thiophen-3-yl)ethan-1-ol
CID 62774872
3-Amino-1-(thiophen-3-yl)propan-1-ol
CID 65185005

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol?
The IUPAC name of 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol (CID 66002471) is 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol is CC(C)CNCCC(C)(O)c1ccsc1.
What is the InChIKey of 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol?
The InChIKey is SYCDPIYRVYDYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-10(2)8-13-6-5-12(3,14)11-4-7-15-9-11/h4,7,9-10,13-14H,5-6,8H2,1-3H3.
What are the key properties of 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol?
4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropylamino)-2-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 66002471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).