N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride

C12H27ClN2O2S — CID 43810439

IUPACN-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCC(C)N(CCNC1CCS(=O)(=O)C1)C(C)C.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-10(2)14(11(3)4)7-6-13-12-5-8-17(15,16)9-12;/h10-13H,5-9H2,1-4H3;1H
InChIKeyLOBIZYYTCZCIAG-UHFFFAOYSA-N
MW298.88 g/mol
LogP1.30
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride

N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 43810439) has the molecular formula C12H27ClN2O2S and a molecular weight of 298.88 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride
PubChem CID43810439
Molecular FormulaC12H27ClN2O2S
Molecular Weight298.88 g/mol
Exact Mass298.15
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride
SMILESCC(C)N(CCNC1CCS(=O)(=O)C1)C(C)C.Cl
InChIInChI=1S/C12H26N2O2S.ClH/c1-10(2)14(11(3)4)7-6-13-12-5-8-17(15,16)9-12;/h10-13H,5-9H2,1-4H3;1H
InChIKeyLOBIZYYTCZCIAG-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.88
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride (CID 43810439) is N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride is CC(C)N(CCNC1CCS(=O)(=O)C1)C(C)C.Cl.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is LOBIZYYTCZCIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S.ClH/c1-10(2)14(11(3)4)7-6-13-12-5-8-17(15,16)9-12;/h10-13H,5-9H2,1-4H3;1H.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride?
N-(1,1-dioxothiolan-3-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 298.88 g/mol, XLogP of 1.30, 6 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)-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 43810439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).