1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine

C16H33NO2S — CID 115336970

IUPAC1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H33NO2S/c1-3-5-6-7-8-9-10-16(17-12-4-2)15-11-13-20(18,19)14-15/h15-17H,3-14H2,1-2H3
InChIKeyXISDERHPEAEIOD-UHFFFAOYSA-N
MW303.51 g/mol
LogP3.54
Rot. Bonds11

About 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine

1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine (PubChem CID 115336970) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
PubChem CID115336970
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine
SMILESCCCCCCCCC(NCCC)C1CCS(=O)(=O)C1
InChIInChI=1S/C16H33NO2S/c1-3-5-6-7-8-9-10-16(17-12-4-2)15-11-13-20(18,19)14-15/h15-17H,3-14H2,1-2H3
InChIKeyXISDERHPEAEIOD-UHFFFAOYSA-N
XLogP3.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-dioxothiolan-3-yl)-4-methyl-N-propylpentan-1-amine
CID 113289799
1-cyclopropyl-N-propyltridecan-1-amine
CID 63413531
1-(1,1-dioxothiolan-3-yl)-N-propylhex-4-yn-1-amine
CID 113455496
1-cyclopropyl-N-propylhexan-1-amine
CID 62600983
1-cyclobutyl-N-propyldodecan-1-amine
CID 105049365
1-(1,1-dioxothiolan-3-yl)-N-ethylhex-5-en-1-amine
CID 115336846
1-(4,4-dimethylcyclohexyl)-N-propylhexan-1-amine
CID 65390648
1-(4,4-difluorocyclohexyl)-N-propylnonan-1-amine
CID 105128102
N-[1-(1,1-dioxothiolan-3-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 83182675
1-(1,1-dioxothian-3-yl)-N-ethylbutan-1-amine
CID 83050384
N-[(1,1-dioxothiolan-3-yl)methyl]octan-2-amine
CID 54915595
1-(oxan-3-yl)-N-propyldecan-1-amine
CID 65332318

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine (CID 115336970) is 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine is CCCCCCCCC(NCCC)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine?
The InChIKey is XISDERHPEAEIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-3-5-6-7-8-9-10-16(17-12-4-2)15-11-13-20(18,19)14-15/h15-17H,3-14H2,1-2H3.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine?
1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine has a molecular weight of 303.51 g/mol, XLogP of 3.54, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-propylnonan-1-amine is sourced from PubChem (CID 115336970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).