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

C9H19NOS — CID 43511360

IUPAC2-methyl-2-(thian-4-ylamino)propan-1-ol
SMILESCC(C)(CO)NC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-9(2,7-11)10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3
InChIKeyZALHQYGZCRURCA-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds3

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

2-methyl-2-(thian-4-ylamino)propan-1-ol (PubChem CID 43511360) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 2-methyl-2-(thian-4-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-(thian-4-ylamino)propan-1-ol
PubChem CID43511360
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name2-methyl-2-(thian-4-ylamino)propan-1-ol
SMILESCC(C)(CO)NC1CCSCC1
InChIInChI=1S/C9H19NOS/c1-9(2,7-11)10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3
InChIKeyZALHQYGZCRURCA-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

2-[(Thian-4-yl)amino]ethan-1-ol
CID 43394812
2-[(Thian-4-yl)amino]ethan-1-ol hydrochloride
CID 91647800
[(3S)-2,2-dimethylthiomorpholin-3-yl]methanol hydrochloride
CID 146155553
2-[(Thian-3-yl)amino]ethan-1-ol
CID 62871965
1-Fluoro-3-[(thian-4-yl)amino]propan-2-ol
CID 165786845
1-Thiomorpholin-3-ylethanol
CID 23090232
(6,6-Dimethylthiomorpholin-3-yl)methanol
CID 53275715
(2S)-4-methylsulfanyl-2-(propan-2-ylamino)butan-1-ol
CID 57863403
(2R)-2-(tert-butylamino)-4-methylsulfanylbutan-1-ol
CID 57957283
(2S)-2-(tert-butylamino)-4-methylsulfanylbutan-1-ol
CID 57957413
2-(Tert-butylamino)-4-methylsulfanylbutan-1-ol
CID 57957598
2-(Tert-butylamino)-3-methylsulfanylpropan-1-ol
CID 59683285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(thian-4-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-2-(thian-4-ylamino)propan-1-ol (CID 43511360) is 2-methyl-2-(thian-4-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-2-(thian-4-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-2-(thian-4-ylamino)propan-1-ol is CC(C)(CO)NC1CCSCC1.
What is the InChIKey of 2-methyl-2-(thian-4-ylamino)propan-1-ol?
The InChIKey is ZALHQYGZCRURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-9(2,7-11)10-8-3-5-12-6-4-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-(thian-4-ylamino)propan-1-ol?
2-methyl-2-(thian-4-ylamino)propan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(thian-4-ylamino)propan-1-ol is sourced from PubChem (CID 43511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).