N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine

C12H23NO2S2 — CID 79948037

IUPACN-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S2/c1-12(2)5-6-16-8-11(12)13-10-4-3-7-17(14,15)9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyTXDVMVHITCXJOA-UHFFFAOYSA-N
MW277.45 g/mol
LogP1.68
Rot. Bonds2

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

N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine (PubChem CID 79948037) has the molecular formula C12H23NO2S2 and a molecular weight of 277.45 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
PubChem CID79948037
Molecular FormulaC12H23NO2S2
Molecular Weight277.45 g/mol
Exact Mass277.12
IUPAC NameN-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1NC1CCCS(=O)(=O)C1
InChIInChI=1S/C12H23NO2S2/c1-12(2)5-6-16-8-11(12)13-10-4-3-7-17(14,15)9-10/h10-11,13H,3-9H2,1-2H3
InChIKeyTXDVMVHITCXJOA-UHFFFAOYSA-N
XLogP1.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylcyclobutyl)-1,1-dioxothiolan-3-amine
CID 130532869
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
N-(2,2-dimethylcyclopentyl)-1,1-dioxothian-4-amine
CID 79864492
4-[(4,4-dimethylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79948097
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985
4,4-dimethyl-N-[(1-methylcyclopentyl)methyl]thian-3-amine
CID 79948969
N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
N-(2,2-dimethylcyclohexyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79903163
(3R)-1,1-dioxo-N-propan-2-ylthian-3-amine
CID 176810874
N-[[1-(dimethylamino)cyclopentyl]methyl]-4,4-dimethylthian-3-amine
CID 83107348

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine (CID 79948037) is N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine is CC1(C)CCSCC1NC1CCCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine?
The InChIKey is TXDVMVHITCXJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S2/c1-12(2)5-6-16-8-11(12)13-10-4-3-7-17(14,15)9-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine?
N-(1,1-dioxothian-3-yl)-4,4-dimethylthian-3-amine has a molecular weight of 277.45 g/mol, XLogP of 1.68, 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-3-yl)-4,4-dimethylthian-3-amine is sourced from PubChem (CID 79948037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).