4-(methylamino)butan-2-ol;thiophene

C9H17NOS — CID 175349022

IUPAC4-(methylamino)butan-2-ol;thiophene
SMILESCNCCC(C)O.c1ccsc1
InChIInChI=1S/C5H13NO.C4H4S/c1-5(7)3-4-6-2;1-2-4-5-3-1/h5-7H,3-4H2,1-2H3;1-4H
InChIKeyRIZKTHWZJIGJPL-UHFFFAOYSA-N
MW187.31 g/mol
LogP1.72
Rot. Bonds3

About 4-(methylamino)butan-2-ol;thiophene

4-(methylamino)butan-2-ol;thiophene (PubChem CID 175349022) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 4-(methylamino)butan-2-ol;thiophene.

Molecular Properties

Compound Name4-(methylamino)butan-2-ol;thiophene
PubChem CID175349022
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name4-(methylamino)butan-2-ol;thiophene
SMILESCNCCC(C)O.c1ccsc1
InChIInChI=1S/C5H13NO.C4H4S/c1-5(7)3-4-6-2;1-2-4-5-3-1/h5-7H,3-4H2,1-2H3;1-4H
InChIKeyRIZKTHWZJIGJPL-UHFFFAOYSA-N
XLogP1.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)butan-2-ol;thiophene?
The IUPAC name of 4-(methylamino)butan-2-ol;thiophene (CID 175349022) is 4-(methylamino)butan-2-ol;thiophene.
What is the SMILES notation for 4-(methylamino)butan-2-ol;thiophene?
The canonical SMILES for 4-(methylamino)butan-2-ol;thiophene is CNCCC(C)O.c1ccsc1.
What is the InChIKey of 4-(methylamino)butan-2-ol;thiophene?
The InChIKey is RIZKTHWZJIGJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.C4H4S/c1-5(7)3-4-6-2;1-2-4-5-3-1/h5-7H,3-4H2,1-2H3;1-4H.
What are the key properties of 4-(methylamino)butan-2-ol;thiophene?
4-(methylamino)butan-2-ol;thiophene has a molecular weight of 187.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)butan-2-ol;thiophene is sourced from PubChem (CID 175349022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).