2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine

C10H21NO4S2 — CID 62530846

IUPAC2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNCC(CCS(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S2/c1-11-7-9(3-5-16(2,12)13)10-4-6-17(14,15)8-10/h9-11H,3-8H2,1-2H3
InChIKeyIWUAKZIZIQLWHT-UHFFFAOYSA-N
MW283.41 g/mol
LogP-0.31
Rot. Bonds6

About 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine

2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine (PubChem CID 62530846) has the molecular formula C10H21NO4S2 and a molecular weight of 283.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine
PubChem CID62530846
Molecular FormulaC10H21NO4S2
Molecular Weight283.41 g/mol
Exact Mass283.09
IUPAC Name2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine
SMILESCNCC(CCS(C)(=O)=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H21NO4S2/c1-11-7-9(3-5-16(2,12)13)10-4-6-17(14,15)8-10/h9-11H,3-8H2,1-2H3
InChIKeyIWUAKZIZIQLWHT-UHFFFAOYSA-N
XLogP-0.31
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine 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

2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)-5-methylsulfonylpentan-1-amine
CID 63195777
2-(1,1-dioxothiolan-3-yl)-6-methoxy-N-methylhexan-1-amine
CID 113437124
2-(1,1-dioxothiolan-3-yl)-N-propan-2-yl-4-propan-2-ylsulfonylbutan-1-amine
CID 106729604
1-(1,1-dioxothiolan-3-yl)-2-(methylamino)ethanol
CID 82279875
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenoxybutan-1-amine
CID 62528237
2-(1,1-dioxothiolan-3-yl)-5-ethylsulfonyl-N-propan-2-ylpentan-1-amine
CID 65097119
2-(1,1-dioxothiolan-3-yl)-N,3,3-trimethylbutan-1-amine
CID 83139103
3-(2-chloro-6-fluorophenyl)-2-(1,1-dioxothiolan-3-yl)-N-methylpropan-1-amine
CID 62528437
2-(1,1-dioxothiolan-3-yl)-N-(2-methylpropyl)hexan-1-amine
CID 62530439
N-[2-(1,1-dioxothiolan-3-yl)-5,5-dimethylhexyl]cyclopropanamine
CID 62531268
2-(1,1-dioxothiolan-3-yl)-4-ethoxy-N-ethylbutan-1-amine
CID 55083755
2-(1,1-dioxothiolan-3-yl)-4-(2-methylpropylamino)butan-1-ol
CID 165476580

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine (CID 62530846) is 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine is CNCC(CCS(C)(=O)=O)C1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
The InChIKey is IWUAKZIZIQLWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S2/c1-11-7-9(3-5-16(2,12)13)10-4-6-17(14,15)8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine?
2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine has a molecular weight of 283.41 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-N-methyl-4-methylsulfonylbutan-1-amine is sourced from PubChem (CID 62530846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).