2-methyl-1-(thian-4-ylamino)butan-2-ol

C10H21NOS — CID 63933904

IUPAC2-methyl-1-(thian-4-ylamino)butan-2-ol
SMILESCCC(C)(O)CNC1CCSCC1
InChIInChI=1S/C10H21NOS/c1-3-10(2,12)8-11-9-4-6-13-7-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNXJUWPNSWINZJD-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds4

About 2-methyl-1-(thian-4-ylamino)butan-2-ol

2-methyl-1-(thian-4-ylamino)butan-2-ol (PubChem CID 63933904) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 2-methyl-1-(thian-4-ylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(thian-4-ylamino)butan-2-ol
PubChem CID63933904
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name2-methyl-1-(thian-4-ylamino)butan-2-ol
SMILESCCC(C)(O)CNC1CCSCC1
InChIInChI=1S/C10H21NOS/c1-3-10(2,12)8-11-9-4-6-13-7-5-9/h9,11-12H,3-8H2,1-2H3
InChIKeyNXJUWPNSWINZJD-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(thian-4-ylamino)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thian-4-ylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(thian-4-ylamino)butan-2-ol (CID 63933904) is 2-methyl-1-(thian-4-ylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(thian-4-ylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(thian-4-ylamino)butan-2-ol is CCC(C)(O)CNC1CCSCC1.
What is the InChIKey of 2-methyl-1-(thian-4-ylamino)butan-2-ol?
The InChIKey is NXJUWPNSWINZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-10(2,12)8-11-9-4-6-13-7-5-9/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 2-methyl-1-(thian-4-ylamino)butan-2-ol?
2-methyl-1-(thian-4-ylamino)butan-2-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thian-4-ylamino)butan-2-ol is sourced from PubChem (CID 63933904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).