N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide

C9H20N2O4S2 — CID 106065944

IUPACN-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O4S2/c1-8(6-10-2)17(14,15)11-9-4-3-5-16(12,13)7-9/h8-11H,3-7H2,1-2H3
InChIKeyKHPZKMVBJGIMFO-UHFFFAOYSA-N
MW284.40 g/mol
LogP-0.91
Rot. Bonds5

About N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide

N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide (PubChem CID 106065944) has the molecular formula C9H20N2O4S2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
PubChem CID106065944
Molecular FormulaC9H20N2O4S2
Molecular Weight284.40 g/mol
Exact Mass284.09
IUPAC NameN-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)NC1CCCS(=O)(=O)C1
InChIInChI=1S/C9H20N2O4S2/c1-8(6-10-2)17(14,15)11-9-4-3-5-16(12,13)7-9/h8-11H,3-7H2,1-2H3
InChIKeyKHPZKMVBJGIMFO-UHFFFAOYSA-N
XLogP-0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide 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

1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
N-(3-ethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 114141537
N-(1,1-dioxothian-3-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 63923373
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-(3,4-dimethylcyclohexyl)-1-(methylamino)propane-2-sulfonamide
CID 106067378
N-(3-methyl-2-propan-2-ylbutyl)-1,1-dioxothian-3-amine
CID 102904188
N-cyclooctyl-1-(cyclopropylamino)propane-2-sulfonamide
CID 106058802
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)benzenesulfonamide
CID 63922792
N-(2-cyclopropylpropyl)-1,1-dioxothian-3-amine
CID 115900871
1-(methylamino)-N-(3-methylsulfanylcyclopentyl)propane-2-sulfonamide
CID 106092221
2-[(1,1-dioxothian-3-yl)sulfamoyl]acetic acid
CID 63924683
N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
CID 130807083

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide (CID 106065944) is N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide is CNCC(C)S(=O)(=O)NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide?
The InChIKey is KHPZKMVBJGIMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S2/c1-8(6-10-2)17(14,15)11-9-4-3-5-16(12,13)7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide?
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide has a molecular weight of 284.40 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide is sourced from PubChem (CID 106065944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).