N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide

C9H18N2O4S — CID 99976614

IUPACN-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
SMILESCCC(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-4-9(13)11(10(2)3)7-5-16(14,15)6-8(7)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZBVSIYAVKJWEKN-JGVFFNPUSA-N
MW250.32 g/mol
LogP-1.14
Rot. Bonds3

About N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide

N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide (PubChem CID 99976614) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide.

Molecular Properties

Compound NameN-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
PubChem CID99976614
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide
SMILESCCC(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C
InChIInChI=1S/C9H18N2O4S/c1-4-9(13)11(10(2)3)7-5-16(14,15)6-8(7)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyZBVSIYAVKJWEKN-JGVFFNPUSA-N
XLogP-1.14
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide
CID 71097027
2-chloro-N-(4-hydroxy-1,1-dioxothiolan-3-yl)-N',N'-dimethylacetohydrazide
CID 46398665
N-butan-2-yl-3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]propanamide
CID 54900765
1-[4-(4-Hydroxy-1,1-dioxothiolan-3-yl)piperazin-1-yl]ethanone
CID 60665775
N-(1,1-dioxothiolan-3-yl)-N-(2-hydroxyethyl)propanamide
CID 60743082
3-[(4-hydroxy-1,1-dioxothiolan-3-yl)amino]-N-propylpropanamide
CID 61885760
N-(1,1-dioxothiolan-3-yl)-2-[2-hydroxypropyl(methyl)amino]-N-methylacetamide
CID 62333372
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-[2-hydroxypropyl(methyl)amino]acetamide
CID 62333745
N-(1,1-dioxothiolan-3-yl)-2-hydroxy-N-methylpropanamide
CID 82127761
2-chloro-N-[(3S,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylacetohydrazide
CID 93543570
2-chloro-N-[(3R,4R)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylacetohydrazide
CID 93543571
2-chloro-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylacetohydrazide
CID 93543572

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide?
The IUPAC name of N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide (CID 99976614) is N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide.
What is the SMILES notation for N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide?
The canonical SMILES for N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide is CCC(=O)N([C@H]1CS(=O)(=O)C[C@H]1O)N(C)C.
What is the InChIKey of N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide?
The InChIKey is ZBVSIYAVKJWEKN-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-4-9(13)11(10(2)3)7-5-16(14,15)6-8(7)12/h7-8,12H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide?
N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide has a molecular weight of 250.32 g/mol, XLogP of -1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N',N'-dimethylpropanehydrazide is sourced from PubChem (CID 99976614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).