N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide

C6H13NO4S2 — CID 130807083

IUPACN-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-5(2)13(10,11)7-6-3-12(8,9)4-6/h5-7H,3-4H2,1-2H3
InChIKeyNIUYLIPNHGELSQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.89
Rot. Bonds3

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

N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide (PubChem CID 130807083) has the molecular formula C6H13NO4S2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
PubChem CID130807083
Molecular FormulaC6H13NO4S2
Molecular Weight227.31 g/mol
Exact Mass227.03
IUPAC NameN-(1,1-dioxothietan-3-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CS(=O)(=O)C1
InChIInChI=1S/C6H13NO4S2/c1-5(2)13(10,11)7-6-3-12(8,9)4-6/h5-7H,3-4H2,1-2H3
InChIKeyNIUYLIPNHGELSQ-UHFFFAOYSA-N
XLogP-0.89
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-1,1-dioxothiolan-3-yl)propane-2-sulfonamide
CID 115339009
N-(3-bicyclo[3.1.0]hexanyl)propane-2-sulfonamide
CID 130974894
N-cyclodecylpropane-2-sulfonamide
CID 131977128
N-(1,1-dioxothian-3-yl)-1-(methylamino)propane-2-sulfonamide
CID 106065944
1-(cyclopropylamino)-N-(1,1-dioxothian-3-yl)propane-2-sulfonamide
CID 106065916
N-(thiolan-3-yl)propane-2-sulfonamide
CID 103698011
N-(3,4-dimethylcyclohexyl)propane-2-sulfonamide
CID 64749002
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-(3-ethoxycyclobutyl)propane-2-sulfonamide
CID 102609488
N-(2-oxocyclopropyl)propane-2-sulfonamide
CID 139987359
N-(2-hydroxycyclobutyl)propane-2-sulfonamide
CID 168726677
1,1-dioxo-N-[(1-propan-2-ylcyclopropyl)methyl]thietan-3-amine
CID 155487558

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide?
The IUPAC name of N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide (CID 130807083) is N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide?
The InChIKey is NIUYLIPNHGELSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S2/c1-5(2)13(10,11)7-6-3-12(8,9)4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide?
N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide has a molecular weight of 227.31 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)propane-2-sulfonamide is sourced from PubChem (CID 130807083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).