1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol

C10H22N2O3S — CID 112501231

IUPAC1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
SMILESCCN(CC(O)CNC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O3S/c1-3-12(7-10(13)6-11-2)9-4-5-16(14,15)8-9/h9-11,13H,3-8H2,1-2H3
InChIKeyTUQYHFJVQZIJEP-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.92
Rot. Bonds6

About 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol

1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol (PubChem CID 112501231) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
PubChem CID112501231
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC Name1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol
SMILESCCN(CC(O)CNC)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O3S/c1-3-12(7-10(13)6-11-2)9-4-5-16(14,15)8-9/h9-11,13H,3-8H2,1-2H3
InChIKeyTUQYHFJVQZIJEP-UHFFFAOYSA-N
XLogP-0.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-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

2-[(1,1-dioxothiolan-3-yl)-ethylamino]acetamide
CID 82040848
1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(2-methylpropylamino)propan-2-ol
CID 115474959
2-[(1,1-dioxothiolan-3-yl)-(3-ethoxy-2-hydroxypropyl)amino]acetic acid
CID 63931578
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-propylamino]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 98793910
1-(4-acetylpiperazin-1-yl)-2-[(1,1-dioxothiolan-3-yl)-ethylamino]ethanone
CID 108996130
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-N-methylacetamide
CID 78823697
N-(1,1-dioxothiolan-3-yl)-2-methyl-3-(methylamino)-N-prop-2-enylpropanamide
CID 119744668
1-(1,1-dioxothiolan-3-yl)-1-ethyl-3-(3-methylbutyl)urea
CID 110299715
(3R)-N-[(2-chlorophenyl)methyl]-N-ethyl-1,1-dioxothiolan-3-amine
CID 129370050
2-[(1,1-dioxothiolan-3-yl)-ethylamino]propanoic acid
CID 20986140
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2,2,2-trifluoroacetamide
CID 63374753

Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol (CID 112501231) is 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol is CCN(CC(O)CNC)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol?
The InChIKey is TUQYHFJVQZIJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-3-12(7-10(13)6-11-2)9-4-5-16(14,15)8-9/h9-11,13H,3-8H2,1-2H3.
What are the key properties of 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol?
1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol has a molecular weight of 250.36 g/mol, XLogP of -0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dioxothiolan-3-yl)-ethylamino]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 112501231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).