N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine

C12H23NO2S — CID 79864492

IUPACN-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
SMILESCC1(C)CCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO2S/c1-12(2)7-3-4-11(12)13-10-5-8-16(14,15)9-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyYNMICAXBMALPKW-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.73
Rot. Bonds2

About N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine

N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine (PubChem CID 79864492) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound NameN-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
PubChem CID79864492
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
SMILESCC1(C)CCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C12H23NO2S/c1-12(2)7-3-4-11(12)13-10-5-8-16(14,15)9-6-10/h10-11,13H,3-9H2,1-2H3
InChIKeyYNMICAXBMALPKW-UHFFFAOYSA-N
XLogP1.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine?
The IUPAC name of N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine (CID 79864492) is N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine?
The canonical SMILES for N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine is CC1(C)CCCC1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine?
The InChIKey is YNMICAXBMALPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-12(2)7-3-4-11(12)13-10-5-8-16(14,15)9-6-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine?
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine has a molecular weight of 245.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 79864492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).