N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine

C10H22N2O2S — CID 43511552

IUPACN-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-12(2)7-3-6-11-10-4-8-15(13,14)9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyIBTQSCRGIMJOIK-UHFFFAOYSA-N
MW234.36 g/mol
LogP0.10
Rot. Bonds5

About N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43511552) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43511552
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC NameN-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNC1CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O2S/c1-12(2)7-3-6-11-10-4-8-15(13,14)9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyIBTQSCRGIMJOIK-UHFFFAOYSA-N
XLogP0.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine hydrochloride
CID 6603363
1-(2-Methanesulfonylethyl)piperidin-4-amine
CID 49817087
4-(methylamino)tetrahydro-2H-thiopyran-1,1-dioxide hydrochloride
CID 50944287
N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 649823
3-((3-(Dimethylamino)propyl)amino)tetrahydrothiophene 1,1-dioxide
CID 3131597
3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
3-Piperazin-1-ylthiolane 1,1-dioxide
CID 4962357
N-methyltetrahydro-2H-thiopyran-4-amine 1,1-dioxide
CID 43511407
1-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)piperazine
CID 46785848
1-[2-(Methylsulfonyl)ethyl]piperidin-4-amine dihydrochloride
CID 54758999
2-Methyl-3-athylthiomorpholin-1.1-dioxid
CID 12638753

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 43511552) is N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNC1CCS(=O)(=O)CC1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IBTQSCRGIMJOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-12(2)7-3-6-11-10-4-8-15(13,14)9-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 234.36 g/mol, XLogP of 0.10, 5 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)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43511552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).