N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide

C12H21NO4S — CID 94093395

IUPACN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
SMILESCN(C(=O)CC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-13(10-6-8-18(15,16)9-10)12(14)5-4-11-3-2-7-17-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyBWCFDYQHTSAYNK-QWRGUYRKSA-N
MW275.37 g/mol
LogP0.59
Rot. Bonds4

About N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide

N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide (PubChem CID 94093395) has the molecular formula C12H21NO4S and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
PubChem CID94093395
Molecular FormulaC12H21NO4S
Molecular Weight275.37 g/mol
Exact Mass275.12
IUPAC NameN-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide
SMILESCN(C(=O)CC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C12H21NO4S/c1-13(10-6-8-18(15,16)9-10)12(14)5-4-11-3-2-7-17-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1
InChIKeyBWCFDYQHTSAYNK-QWRGUYRKSA-N
XLogP0.59
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide 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

N-(azetidin-3-yl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 66187540
3-cyclopentyl-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95150130
2-[(1,1-dioxothiolan-3-yl)-[2-(oxolan-2-yl)ethyl]amino]acetic acid
CID 65162087
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
3-(3,5-dioxopyrazolidin-4-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 110703679
4-N-(1,1-dioxothiolan-3-yl)-4-N-methyl-1-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146924
2-[cyclohexyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 55409966
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-pyrrolidin-1-ylpropanamide
CID 110688152
N-methyl-3-[(2S)-oxolan-2-yl]-N-(1-prop-2-enoylpiperidin-4-yl)propanamide
CID 167955736
N-(2-bromocyclohexyl)-N-methyl-3-(oxolan-2-yl)propanamide
CID 102638421
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(propan-2-ylamino)butanamide
CID 60849550
N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825156

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The IUPAC name of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide (CID 94093395) is N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide.
What is the SMILES notation for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The canonical SMILES for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide is CN(C(=O)CC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
The InChIKey is BWCFDYQHTSAYNK-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H21NO4S/c1-13(10-6-8-18(15,16)9-10)12(14)5-4-11-3-2-7-17-11/h10-11H,2-9H2,1H3/t10-,11-/m0/s1.
What are the key properties of N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide?
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide has a molecular weight of 275.37 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-3-[(2S)-oxolan-2-yl]propanamide is sourced from PubChem (CID 94093395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).