N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

C15H32N2O2S — CID 62256517

IUPACN-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H32N2O2S/c1-6-15(4,11-16-9-13(2)3)12-17(5)14-7-8-20(18,19)10-14/h13-14,16H,6-12H2,1-5H3
InChIKeyFJEHFSINDRGADG-UHFFFAOYSA-N
MW304.50 g/mol
LogP1.77
Rot. Bonds8

About N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine

N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62256517) has the molecular formula C15H32N2O2S and a molecular weight of 304.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62256517
Molecular FormulaC15H32N2O2S
Molecular Weight304.50 g/mol
Exact Mass304.22
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCCC(C)(CNCC(C)C)CN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H32N2O2S/c1-6-15(4,11-16-9-13(2)3)12-17(5)14-7-8-20(18,19)10-14/h13-14,16H,6-12H2,1-5H3
InChIKeyFJEHFSINDRGADG-UHFFFAOYSA-N
XLogP1.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,1-dioxothiolan-3-yl)-methylamino]-3-(2-methylpropylamino)propan-2-ol
CID 115474959
1-N-(1,1-dioxothiolan-3-yl)-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62846945
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62561588
N'-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62256858
N-butan-2-yl-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62264012
2-ethyl-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 55257102
2-ethyl-2-methyl-N'-(2-methylpropyl)-N,N-dipropylpropane-1,3-diamine
CID 63482502
2-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)-methylamino]-2-(propan-2-ylamino)propanoic acid
CID 63909944
N-(1,1-dioxothiolan-3-yl)-N-methyl-6-[(2-methylpropylamino)methyl]pyridazin-3-amine
CID 62282275
N,2-diethyl-N',2-dimethyl-N'-(oxan-4-yl)propane-1,3-diamine
CID 55051396
2-N-(1,1-dioxothiolan-3-yl)-2-N-methyl-1-N-prop-2-ynylpropane-1,2-diamine
CID 62568820
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62281754

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 62256517) is N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is CCC(C)(CNCC(C)C)CN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is FJEHFSINDRGADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2S/c1-6-15(4,11-16-9-13(2)3)12-17(5)14-7-8-20(18,19)10-14/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine?
N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 304.50 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-ethyl-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).