ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate

C9H18N2O4S — CID 99976652

IUPACethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
SMILESCCOC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-4-15-9(12)11(10(2)3)8-5-6-16(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPRFLIGSRXHZESE-QMMMGPOBSA-N
MW250.32 g/mol
LogP0.11
Rot. Bonds3

About ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate

ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate (PubChem CID 99976652) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
PubChem CID99976652
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC Nameethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
SMILESCCOC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-4-15-9(12)11(10(2)3)8-5-6-16(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPRFLIGSRXHZESE-QMMMGPOBSA-N
XLogP0.11
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate 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

ethyl N-(dimethylamino)-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 99976651
ethyl 2-[(1,1-dioxothiolan-3-yl)-methylamino]-2-oxoacetate
CID 3720858
N-(1,1-dioxothiolan-3-yl)-3-ethyl-N',N'-dimethylpent-2-enehydrazide
CID 119033131
ethyl N-(1,1-dioxothiolan-3-yl)-N-(4-methylpiperazin-1-yl)carbamate
CID 102566420
ethyl 2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoacetate
CID 7732470
1,3-bis(1,1-dioxothiolan-3-yl)-1,3-dimethylurea
CID 108989373
N,N'-bis(1,1-dioxothiolan-3-yl)-N,N'-dimethylpropanediamide
CID 108949171
N-[(3S)-1,1-dioxothiolan-3-yl]-N',N'-dimethyl-2-(4-propanoylphenoxy)acetohydrazide
CID 7503503
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[ethyl(methyl)amino]acetamide
CID 60516837
N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
CID 25810
ethyl N-[2-(cyclohexanecarbonylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]carbamate
CID 99976032
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743

Frequently Asked Questions

What is the IUPAC name of ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate?
The IUPAC name of ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate (CID 99976652) is ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate.
What is the SMILES notation for ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate?
The canonical SMILES for ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate is CCOC(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C.
What is the InChIKey of ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate?
The InChIKey is PRFLIGSRXHZESE-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-4-15-9(12)11(10(2)3)8-5-6-16(13,14)7-8/h8H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate?
ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate has a molecular weight of 250.32 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(dimethylamino)-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate is sourced from PubChem (CID 99976652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).