N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide

C10H22N2O4S2 — CID 62084395

IUPACN-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O4S2/c1-2-3-9(8-11)12-18(15,16)10-4-6-17(13,14)7-5-10/h9-10,12H,2-8,11H2,1H3
InChIKeyPGHJPKPEVGUWQI-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.39
Rot. Bonds6

About N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide

N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide (PubChem CID 62084395) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide
PubChem CID62084395
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide
SMILESCCCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O4S2/c1-2-3-9(8-11)12-18(15,16)10-4-6-17(13,14)7-5-10/h9-10,12H,2-8,11H2,1H3
InChIKeyPGHJPKPEVGUWQI-UHFFFAOYSA-N
XLogP-0.39
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The IUPAC name of N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide (CID 62084395) is N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide.
What is the SMILES notation for N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The canonical SMILES for N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide is CCCC(CN)NS(=O)(=O)C1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide?
The InChIKey is PGHJPKPEVGUWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-2-3-9(8-11)12-18(15,16)10-4-6-17(13,14)7-5-10/h9-10,12H,2-8,11H2,1H3.
What are the key properties of N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide?
N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopentan-2-yl)-1,1-dioxothiane-4-sulfonamide is sourced from PubChem (CID 62084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).