N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide

C11H24N2O4S2 — CID 62086183

IUPACN-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10(2)13(7-3-6-12)19(16,17)11-4-8-18(14,15)9-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyOWVZGGVVCWZUMZ-UHFFFAOYSA-N
MW312.46 g/mol
LogP-0.05
Rot. Bonds6

About N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide

N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide (PubChem CID 62086183) has the molecular formula C11H24N2O4S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
PubChem CID62086183
Molecular FormulaC11H24N2O4S2
Molecular Weight312.46 g/mol
Exact Mass312.12
IUPAC NameN-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide
SMILESCC(C)N(CCCN)S(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O4S2/c1-10(2)13(7-3-6-12)19(16,17)11-4-8-18(14,15)9-5-11/h10-11H,3-9,12H2,1-2H3
InChIKeyOWVZGGVVCWZUMZ-UHFFFAOYSA-N
XLogP-0.05
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide?
The IUPAC name of N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide (CID 62086183) is N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide?
The canonical SMILES for N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide is CC(C)N(CCCN)S(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide?
The InChIKey is OWVZGGVVCWZUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O4S2/c1-10(2)13(7-3-6-12)19(16,17)11-4-8-18(14,15)9-5-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide?
N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide has a molecular weight of 312.46 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1,1-dioxo-N-propan-2-ylthiane-4-sulfonamide is sourced from PubChem (CID 62086183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).