N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

C13H28N2O2S — CID 43511440

IUPACN-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)15(12(3)4)8-7-14-13-5-9-18(16,17)10-6-13/h11-14H,5-10H2,1-4H3
InChIKeyYKTBFTSUZLTZHX-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.27
Rot. Bonds6

About N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine

N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (PubChem CID 43511440) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
PubChem CID43511440
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
SMILESCC(C)N(CCNC1CCS(=O)(=O)CC1)C(C)C
InChIInChI=1S/C13H28N2O2S/c1-11(2)15(12(3)4)8-7-14-13-5-9-18(16,17)10-6-13/h11-14H,5-10H2,1-4H3
InChIKeyYKTBFTSUZLTZHX-UHFFFAOYSA-N
XLogP1.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N-(oxan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43608333
4-[(1,1-dioxothian-4-yl)amino]butan-2-ol
CID 64910901
N-(1,1-dioxothian-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 43511552
N-[4-(2-methylbutan-2-yl)cyclohexyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 29033402
N-cyclopropyl-N',N'-di(propan-2-yl)propane-1,3-diamine
CID 165455015
N-(2-methylsulfanylethyl)-1,1-dioxothian-4-amine
CID 63982238
N-(3,3-dimethylcyclopentyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 80692638
N'-cyclohexyl-N-(1,1-dioxothian-4-yl)-N'-methylpropane-1,3-diamine
CID 60980818
3-[2-[(1,1-dioxothian-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83117132
N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62556979
1,1-dioxo-N-prop-2-ynylthian-4-amine
CID 43511413

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine (CID 43511440) is N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine is CC(C)N(CCNC1CCS(=O)(=O)CC1)C(C)C.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
The InChIKey is YKTBFTSUZLTZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-11(2)15(12(3)4)8-7-14-13-5-9-18(16,17)10-6-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine?
N-(1,1-dioxothian-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine has a molecular weight of 276.45 g/mol, XLogP of 1.27, 6 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'-di(propan-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 43511440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).