(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide

C7H14N2O3S — CID 9092671

IUPAC(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
SMILESCN(C)NC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-9(2)8-7(10)6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyOWFZWLSJQCAKBJ-LURJTMIESA-N
MW206.27 g/mol
LogP-0.99
Rot. Bonds2

About (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide

(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide (PubChem CID 9092671) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol. Its IUPAC name is (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide.

Molecular Properties

Compound Name(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
PubChem CID9092671
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide
SMILESCN(C)NC(=O)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C7H14N2O3S/c1-9(2)8-7(10)6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1
InChIKeyOWFZWLSJQCAKBJ-LURJTMIESA-N
XLogP-0.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 94441040
N-cyano-1,1-dioxothiolane-3-carboxamide
CID 79195189
1,1-dioxo-N-(3-oxobutan-2-yl)thiolane-3-carboxamide
CID 64997033
N-(2-hydroxypropyl)-1,1-dioxothiolane-3-carboxamide
CID 43418379
1,1-dioxo-N-(3-oxopentan-2-yl)thiolane-3-carboxamide
CID 64996718
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothiolane-3-carboxamide
CID 102915000
N-(4-hydroxycyclohexyl)-1,1-dioxothiolane-3-carboxamide
CID 43392962
N-(4-bromobutan-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 83178660
N-[(2R)-1-hydroxybutan-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 103919820
N-(1,1-dicyclopropylpropyl)-1,1-dioxothiolane-3-carboxamide
CID 126818457
N',N'-dimethyloxane-4-carbohydrazide
CID 116848029
N-cyclopentyloxy-1,1-dioxothiolane-3-carboxamide
CID 83201861

Frequently Asked Questions

What is the IUPAC name of (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide?
The IUPAC name of (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide (CID 9092671) is (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide.
What is the SMILES notation for (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide?
The canonical SMILES for (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide is CN(C)NC(=O)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide?
The InChIKey is OWFZWLSJQCAKBJ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-9(2)8-7(10)6-3-4-13(11,12)5-6/h6H,3-5H2,1-2H3,(H,8,10)/t6-/m0/s1.
What are the key properties of (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide?
(3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide has a molecular weight of 206.27 g/mol, XLogP of -0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N',N'-dimethyl-1,1-dioxothiolane-3-carbohydrazide is sourced from PubChem (CID 9092671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).