2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol

C12H21NOS — CID 66038426

IUPAC2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
SMILESCCCNCC(C)(O)CCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-3-7-13-10-12(2,14)6-4-11-5-8-15-9-11/h5,8-9,13-14H,3-4,6-7,10H2,1-2H3
InChIKeyPUZCJLSIPWHEFD-UHFFFAOYSA-N
MW227.37 g/mol
LogP2.43
Rot. Bonds7

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

2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol (PubChem CID 66038426) has the molecular formula C12H21NOS and a molecular weight of 227.37 g/mol. Its IUPAC name is 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
PubChem CID66038426
Molecular FormulaC12H21NOS
Molecular Weight227.37 g/mol
Exact Mass227.13
IUPAC Name2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol
SMILESCCCNCC(C)(O)CCc1ccsc1
InChIInChI=1S/C12H21NOS/c1-3-7-13-10-12(2,14)6-4-11-5-8-15-9-11/h5,8-9,13-14H,3-4,6-7,10H2,1-2H3
InChIKeyPUZCJLSIPWHEFD-UHFFFAOYSA-N
XLogP2.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(propylamino)-3-thiophen-3-ylpropan-2-ol
CID 66037007
2-methyl-1-(propan-2-ylamino)-4-thiophen-3-ylbutan-2-ol
CID 66038197
2-methyl-N-propyl-2-(2-thiophen-3-ylethyl)but-3-en-1-amine
CID 102640854
3,3-dimethyl-N-propyl-5-thiophen-3-ylpentan-1-amine
CID 81022227
3,3-dimethyl-N-propyl-2-(2-thiophen-3-ylethyl)butan-1-amine
CID 83139408
1-(2-methoxyethylamino)-3-methyl-5-thiophen-3-ylpentan-3-ol
CID 66003686
3,3-dimethyl-4-(2-thiophen-3-ylethylamino)butan-1-ol
CID 106146521
2,2-dimethyl-3-(2-thiophen-3-ylethylamino)propan-1-ol
CID 81410840
2-ethyl-2-(2-thiophen-3-ylethyl)propane-1,3-diol
CID 79450472
3,4-dimethyl-1-thiophen-3-ylpentan-3-ol
CID 65146406
N-(2-thiophen-3-ylethyl)butan-1-amine
CID 60751767
2-methyl-1-(propylamino)hexan-2-ol
CID 66039147

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol?
The IUPAC name of 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol (CID 66038426) is 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol.
What is the SMILES notation for 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol?
The canonical SMILES for 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol is CCCNCC(C)(O)CCc1ccsc1.
What is the InChIKey of 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol?
The InChIKey is PUZCJLSIPWHEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NOS/c1-3-7-13-10-12(2,14)6-4-11-5-8-15-9-11/h5,8-9,13-14H,3-4,6-7,10H2,1-2H3.
What are the key properties of 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol?
2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol has a molecular weight of 227.37 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(propylamino)-4-thiophen-3-ylbutan-2-ol is sourced from PubChem (CID 66038426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).