N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide

C10H22N2O4S2 — CID 43827638

IUPACN-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide
SMILESNCCCCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c11-6-3-1-2-4-7-12-18(15,16)10-5-8-17(13,14)9-10/h10,12H,1-9,11H2
InChIKeyYHYPNDKEFDHSBN-UHFFFAOYSA-N
MW298.43 g/mol
LogP-0.39
Rot. Bonds8

About N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide

N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 43827638) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID43827638
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC NameN-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide
SMILESNCCCCCCNS(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O4S2/c11-6-3-1-2-4-7-12-18(15,16)10-5-8-17(13,14)9-10/h10,12H,1-9,11H2
InChIKeyYHYPNDKEFDHSBN-UHFFFAOYSA-N
XLogP-0.39
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide (CID 43827638) is N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide is NCCCCCCNS(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is YHYPNDKEFDHSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c11-6-3-1-2-4-7-12-18(15,16)10-5-8-17(13,14)9-10/h10,12H,1-9,11H2.
What are the key properties of N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide?
N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 298.43 g/mol, XLogP of -0.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 43827638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).