3-(thian-2-ylmethylamino)butan-2-ol

C10H21NOS — CID 80600593

IUPAC3-(thian-2-ylmethylamino)butan-2-ol
SMILESCC(O)C(C)NCC1CCCCS1
InChIInChI=1S/C10H21NOS/c1-8(9(2)12)11-7-10-5-3-4-6-13-10/h8-12H,3-7H2,1-2H3
InChIKeyFWZJBNUKYBWWQX-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds4

About 3-(thian-2-ylmethylamino)butan-2-ol

3-(thian-2-ylmethylamino)butan-2-ol (PubChem CID 80600593) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-(thian-2-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name3-(thian-2-ylmethylamino)butan-2-ol
PubChem CID80600593
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-(thian-2-ylmethylamino)butan-2-ol
SMILESCC(O)C(C)NCC1CCCCS1
InChIInChI=1S/C10H21NOS/c1-8(9(2)12)11-7-10-5-3-4-6-13-10/h8-12H,3-7H2,1-2H3
InChIKeyFWZJBNUKYBWWQX-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 3-(thian-2-ylmethylamino)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

Related Compounds

methyl 2-methyl-3-(thian-2-ylmethylamino)butanoate
CID 80600200
(2R)-2-N-(thian-2-ylmethyl)propane-1,2-diamine
CID 104867949
1-cyclopropyl-N-(thian-2-ylmethyl)propan-2-amine
CID 104537124
1-cyclopentyl-N-(thiolan-2-ylmethyl)ethanamine
CID 80584262
N-cyclopropyl-2-(thian-2-ylmethylamino)propanamide
CID 80599814
2-methyl-N-(thian-2-ylmethyl)propan-1-amine
CID 80593621
N-methyl-1-(thian-2-yl)methanamine
CID 80593784
2-[1-(thian-2-ylmethylamino)ethyl]phenol
CID 80596152
2-(propan-2-ylamino)-N-(thian-2-ylmethyl)acetamide
CID 80600978
(2R)-1-(thiolan-2-ylmethylamino)propan-2-ol
CID 106932334
N-prop-2-ynyl-2-(thian-2-ylmethylamino)propanamide
CID 80600231
ethyl 2-(thian-2-ylmethylamino)butanoate
CID 80601085

Frequently Asked Questions

What is the IUPAC name of 3-(thian-2-ylmethylamino)butan-2-ol?
The IUPAC name of 3-(thian-2-ylmethylamino)butan-2-ol (CID 80600593) is 3-(thian-2-ylmethylamino)butan-2-ol.
What is the SMILES notation for 3-(thian-2-ylmethylamino)butan-2-ol?
The canonical SMILES for 3-(thian-2-ylmethylamino)butan-2-ol is CC(O)C(C)NCC1CCCCS1.
What is the InChIKey of 3-(thian-2-ylmethylamino)butan-2-ol?
The InChIKey is FWZJBNUKYBWWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-8(9(2)12)11-7-10-5-3-4-6-13-10/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-(thian-2-ylmethylamino)butan-2-ol?
3-(thian-2-ylmethylamino)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 3-(thian-2-ylmethylamino)butan-2-ol is sourced from PubChem (CID 80600593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).