N-cyclododecyl-1,1-dioxothian-4-amine

C17H33NO2S — CID 43614936

IUPACN-cyclododecyl-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C17H33NO2S/c19-21(20)14-12-17(13-15-21)18-16-10-8-6-4-2-1-3-5-7-9-11-16/h16-18H,1-15H2
InChIKeyCODBFHUWVSPWHT-UHFFFAOYSA-N
MW315.52 g/mol
LogP3.83
Rot. Bonds2

About N-cyclododecyl-1,1-dioxothian-4-amine

N-cyclododecyl-1,1-dioxothian-4-amine (PubChem CID 43614936) has the molecular formula C17H33NO2S and a molecular weight of 315.52 g/mol. Its IUPAC name is N-cyclododecyl-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-cyclododecyl-1,1-dioxothian-4-amine
PubChem CID43614936
Molecular FormulaC17H33NO2S
Molecular Weight315.52 g/mol
Exact Mass315.22
IUPAC NameN-cyclododecyl-1,1-dioxothian-4-amine
SMILESO=S1(=O)CCC(NC2CCCCCCCCCCC2)CC1
InChIInChI=1S/C17H33NO2S/c19-21(20)14-12-17(13-15-21)18-16-10-8-6-4-2-1-3-5-7-9-11-16/h16-18H,1-15H2
InChIKeyCODBFHUWVSPWHT-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-cyclopentyl-1,1-dioxothiolan-3-amine
CID 7129043
N-(1,1-dioxothian-4-yl)-1-methylpiperidin-3-amine
CID 61210849
N-cyclopropylcyclododecanamine
CID 16776852
N-(1,1-dioxothian-4-yl)-1-ethylazepan-4-amine
CID 65074346
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-(1,1-dioxothian-4-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895341
N-cyclohexyl-4-[(1,1-dioxothiolan-3-yl)amino]piperidine-1-carboxamide
CID 86786884
N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
CID 114122303
N-(1,1-dioxothiolan-3-yl)oxepan-4-amine
CID 65076764
N-(1,1-dioxothian-4-yl)-1-propylazepan-4-amine
CID 65074347
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
CID 106359448

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1,1-dioxothian-4-amine?
The IUPAC name of N-cyclododecyl-1,1-dioxothian-4-amine (CID 43614936) is N-cyclododecyl-1,1-dioxothian-4-amine.
What is the SMILES notation for N-cyclododecyl-1,1-dioxothian-4-amine?
The canonical SMILES for N-cyclododecyl-1,1-dioxothian-4-amine is O=S1(=O)CCC(NC2CCCCCCCCCCC2)CC1.
What is the InChIKey of N-cyclododecyl-1,1-dioxothian-4-amine?
The InChIKey is CODBFHUWVSPWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2S/c19-21(20)14-12-17(13-15-21)18-16-10-8-6-4-2-1-3-5-7-9-11-16/h16-18H,1-15H2.
What are the key properties of N-cyclododecyl-1,1-dioxothian-4-amine?
N-cyclododecyl-1,1-dioxothian-4-amine has a molecular weight of 315.52 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1,1-dioxothian-4-amine is sourced from PubChem (CID 43614936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).