N-nonyl-1,1-dioxothian-3-amine

C14H29NO2S — CID 63923728

IUPACN-nonyl-1,1-dioxothian-3-amine
SMILESCCCCCCCCCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C14H29NO2S/c1-2-3-4-5-6-7-8-11-15-14-10-9-12-18(16,17)13-14/h14-15H,2-13H2,1H3
InChIKeyXUBUPULIOMSARM-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.90
Rot. Bonds9

About N-nonyl-1,1-dioxothian-3-amine

N-nonyl-1,1-dioxothian-3-amine (PubChem CID 63923728) has the molecular formula C14H29NO2S and a molecular weight of 275.46 g/mol. Its IUPAC name is N-nonyl-1,1-dioxothian-3-amine.

Molecular Properties

Compound NameN-nonyl-1,1-dioxothian-3-amine
PubChem CID63923728
Molecular FormulaC14H29NO2S
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC NameN-nonyl-1,1-dioxothian-3-amine
SMILESCCCCCCCCCNC1CCCS(=O)(=O)C1
InChIInChI=1S/C14H29NO2S/c1-2-3-4-5-6-7-8-11-15-14-10-9-12-18(16,17)13-14/h14-15H,2-13H2,1H3
InChIKeyXUBUPULIOMSARM-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.90
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

N-(1,1-dioxothian-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 63909084
N-dodecylcyclohexanamine
CID 3679395
4-[(1,1-dioxothian-3-yl)amino]-N,N-dimethylbutanamide
CID 63923725
N-heptan-2-yl-1,1-dioxothian-3-amine
CID 63911252
N-(3-methylbut-3-enyl)-1,1-dioxothian-3-amine
CID 114472310
butyl 2-[(1,1-dioxothian-3-yl)amino]acetate
CID 63923737
1,1-dioxo-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]thian-3-amine
CID 79353196
methyl 3-[(1,1-dioxothian-3-yl)amino]propanoate
CID 63910873
N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
N-[(4-methylcyclohexyl)methyl]-1,1-dioxothian-3-amine
CID 63923240
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062
1-(2-butoxyethoxy)-3-[(1,1-dioxothian-3-yl)amino]propan-2-ol
CID 63922339

Frequently Asked Questions

What is the IUPAC name of N-nonyl-1,1-dioxothian-3-amine?
The IUPAC name of N-nonyl-1,1-dioxothian-3-amine (CID 63923728) is N-nonyl-1,1-dioxothian-3-amine.
What is the SMILES notation for N-nonyl-1,1-dioxothian-3-amine?
The canonical SMILES for N-nonyl-1,1-dioxothian-3-amine is CCCCCCCCCNC1CCCS(=O)(=O)C1.
What is the InChIKey of N-nonyl-1,1-dioxothian-3-amine?
The InChIKey is XUBUPULIOMSARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2S/c1-2-3-4-5-6-7-8-11-15-14-10-9-12-18(16,17)13-14/h14-15H,2-13H2,1H3.
What are the key properties of N-nonyl-1,1-dioxothian-3-amine?
N-nonyl-1,1-dioxothian-3-amine has a molecular weight of 275.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-1,1-dioxothian-3-amine is sourced from PubChem (CID 63923728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).