2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol

C11H21NO3S — CID 117238543

IUPAC2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(C(O)CNC2CCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11(8-12-10-2-1-3-10)9-4-6-16(14,15)7-5-9/h9-13H,1-8H2
InChIKeyCAJNHNDCFGTXMG-UHFFFAOYSA-N
MW247.36 g/mol
LogP0.31
Rot. Bonds4

About 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol

2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol (PubChem CID 117238543) has the molecular formula C11H21NO3S and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol.

Molecular Properties

Compound Name2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
PubChem CID117238543
Molecular FormulaC11H21NO3S
Molecular Weight247.36 g/mol
Exact Mass247.12
IUPAC Name2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol
SMILESO=S1(=O)CCC(C(O)CNC2CCC2)CC1
InChIInChI=1S/C11H21NO3S/c13-11(8-12-10-2-1-3-10)9-4-6-16(14,15)7-5-9/h9-13H,1-8H2
InChIKeyCAJNHNDCFGTXMG-UHFFFAOYSA-N
XLogP0.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol 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-(cyclopropylamino)-1-(1,1-dioxothian-4-yl)ethanol
CID 117238530
3-(cyclobutylamino)-2-(1,1-dioxothian-4-yl)propanoic acid
CID 117239504
2-(azepan-4-ylamino)-1-cyclopropylethanol
CID 103982114
2-(cyclobutylamino)-1-(thiolan-3-yl)ethanol
CID 117237110
3-[(1,1-dioxothian-4-yl)amino]-2-hydroxypropanamide
CID 106170603
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
2-cyclobutyl-3-(cyclobutylamino)propan-1-ol
CID 117245604
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
1-(1,1-dioxothian-4-yl)-2-piperidin-1-ylethanol
CID 117238604
2-amino-3-[(1,1-dioxothian-4-yl)amino]propanoic acid
CID 64583635
2-(1,1-dioxothian-4-yl)-2-hydroxyethanesulfonyl chloride
CID 115051117
methyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]cyclohexane-1-carboxylate
CID 112753596

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The IUPAC name of 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol (CID 117238543) is 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol.
What is the SMILES notation for 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The canonical SMILES for 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol is O=S1(=O)CCC(C(O)CNC2CCC2)CC1.
What is the InChIKey of 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol?
The InChIKey is CAJNHNDCFGTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3S/c13-11(8-12-10-2-1-3-10)9-4-6-16(14,15)7-5-9/h9-13H,1-8H2.
What are the key properties of 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol?
2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol has a molecular weight of 247.36 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-1-(1,1-dioxothian-4-yl)ethanol is sourced from PubChem (CID 117238543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).