2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide

C15H31N3O3S — CID 58615987

IUPAC2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCS(=O)(=O)N1CCCCCCN
InChIInChI=1S/C15H31N3O3S/c1-13(2)7-10-17-15(19)14-8-12-22(20,21)18(14)11-6-4-3-5-9-16/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyLVDKFZNTPVAEMK-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.07
Rot. Bonds10

About 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide

2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (PubChem CID 58615987) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.

Molecular Properties

Compound Name2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
PubChem CID58615987
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide
SMILESCC(C)CCNC(=O)C1CCS(=O)(=O)N1CCCCCCN
InChIInChI=1S/C15H31N3O3S/c1-13(2)7-10-17-15(19)14-8-12-22(20,21)18(14)11-6-4-3-5-9-16/h13-14H,3-12,16H2,1-2H3,(H,17,19)
InChIKeyLVDKFZNTPVAEMK-UHFFFAOYSA-N
XLogP1.07
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The IUPAC name of 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide (CID 58615987) is 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide.
What is the SMILES notation for 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The canonical SMILES for 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is CC(C)CCNC(=O)C1CCS(=O)(=O)N1CCCCCCN.
What is the InChIKey of 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
The InChIKey is LVDKFZNTPVAEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-13(2)7-10-17-15(19)14-8-12-22(20,21)18(14)11-6-4-3-5-9-16/h13-14H,3-12,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide?
2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminohexyl)-N-(3-methylbutyl)-1,1-dioxo-1,2-thiazolidine-3-carboxamide is sourced from PubChem (CID 58615987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).