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

C6H15ClN2O2S — CID 146012772

IUPACN'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S.ClH/c7-2-3-8-6-1-4-11(9,10)5-6;/h6,8H,1-5,7H2;1H
InChIKeyIPEPVPXODPDMLT-UHFFFAOYSA-N
MW214.72 g/mol
LogP-0.86
Rot. Bonds3

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

N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride (PubChem CID 146012772) has the molecular formula C6H15ClN2O2S and a molecular weight of 214.72 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
PubChem CID146012772
Molecular FormulaC6H15ClN2O2S
Molecular Weight214.72 g/mol
Exact Mass214.05
IUPAC NameN'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
SMILESCl.NCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H14N2O2S.ClH/c7-2-3-8-6-1-4-11(9,10)5-6;/h6,8H,1-5,7H2;1H
InChIKeyIPEPVPXODPDMLT-UHFFFAOYSA-N
XLogP-0.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
1-amino-3-[(1,1-dioxothiolan-3-yl)amino]propan-2-ol
CID 82283753
(1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
CID 2770116
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595
3-amino-N-(1,1-dioxothiolan-3-yl)propanamide;hydrochloride
CID 42943455
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
N-[(1,1-dioxothiolan-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 61057897
1,1-dioxo-N-(2-propylsulfonylethyl)thiolan-3-amine
CID 106513325
2-[(1,1-dioxothian-3-yl)amino]ethanesulfonamide
CID 63911062

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride (CID 146012772) is N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride is Cl.NCCNC1CCS(=O)(=O)C1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride?
The InChIKey is IPEPVPXODPDMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S.ClH/c7-2-3-8-6-1-4-11(9,10)5-6;/h6,8H,1-5,7H2;1H.
What are the key properties of N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride?
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride has a molecular weight of 214.72 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 146012772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).