4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide

C11H22N2O3S — CID 63923725

IUPAC4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-13(2)11(14)6-3-7-12-10-5-4-8-17(15,16)9-10/h10,12H,3-9H2,1-2H3
InChIKeyASXMERZFZPTLHC-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds5

About 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide

4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide (PubChem CID 63923725) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
PubChem CID63923725
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C11H22N2O3S/c1-13(2)11(14)6-3-7-12-10-5-4-8-17(15,16)9-10/h10,12H,3-9H2,1-2H3
InChIKeyASXMERZFZPTLHC-UHFFFAOYSA-N
XLogP0.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(cyclobutylamino)-N,N-dimethylbutanamide
CID 62415155
N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
methyl 3-[(1,1-dioxothian-3-yl)amino]propanoate
CID 63910873
N-nonyl-1,1-dioxothian-3-amine
CID 63923728
N-(3-methylbut-3-enyl)-1,1-dioxothian-3-amine
CID 114472310
N,N-dimethyl-4-[[3-(trifluoromethyl)cyclohexyl]amino]butanamide
CID 119043940
2-[4-[(1,1-dioxothian-3-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 63922912
N,N-dimethyl-5-(piperidin-4-ylamino)pentanamide
CID 173326763
N,N-dimethyl-4-[(2-methylcyclopentyl)amino]butanamide
CID 63278012
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
2-(1,1-dioxothian-3-yl)-1,1-dimethylhydrazine
CID 83006949
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide (CID 63923725) is 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNC1CCCS(=O)(=O)C1.
What is the InChIKey of 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide?
The InChIKey is ASXMERZFZPTLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-13(2)11(14)6-3-7-12-10-5-4-8-17(15,16)9-10/h10,12H,3-9H2,1-2H3.
What are the key properties of 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide?
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 63923725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).