N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine

C11H21NO2S2 — CID 79957007

IUPACN-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
SMILESCC1SCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S2/c1-9-11(3-2-6-15-9)12-10-4-7-16(13,14)8-5-10/h9-12H,2-8H2,1H3
InChIKeyZQJRQQLTEGKTEA-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.44
Rot. Bonds2

About N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine

N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine (PubChem CID 79957007) has the molecular formula C11H21NO2S2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
PubChem CID79957007
Molecular FormulaC11H21NO2S2
Molecular Weight263.43 g/mol
Exact Mass263.10
IUPAC NameN-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
SMILESCC1SCCCC1NC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H21NO2S2/c1-9-11(3-2-6-15-9)12-10-4-7-16(13,14)8-5-10/h9-12H,2-8H2,1H3
InChIKeyZQJRQQLTEGKTEA-UHFFFAOYSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852
N-(2-methylsulfanylcyclohexyl)-1,1-dioxothian-4-amine
CID 114122303
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
N-(2-methylthian-3-yl)-1-propylpiperidin-4-amine
CID 79956542
N-(2-methylcyclohexyl)-1,1-dioxothiolan-3-amine
CID 16784113
N-cyclododecyl-1,1-dioxothian-4-amine
CID 43614936
N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
[2-[(1,1-dioxothian-4-yl)amino]cyclopentyl]methanol
CID 106359448
tert-butyl 4-[(2-methylthian-3-yl)amino]piperidine-1-carboxylate
CID 107241652
2,2-dimethyl-N-(2-methylthian-3-yl)oxan-4-amine
CID 83033114

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine (CID 79957007) is N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine is CC1SCCCC1NC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine?
The InChIKey is ZQJRQQLTEGKTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2S2/c1-9-11(3-2-6-15-9)12-10-4-7-16(13,14)8-5-10/h9-12H,2-8H2,1H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine?
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine has a molecular weight of 263.43 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine is sourced from PubChem (CID 79957007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).