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

C10H22N2O3S — CID 102700923

IUPACN'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9(15-2)7-11-4-5-12-10-3-6-16(13,14)8-10/h9-12H,3-8H2,1-2H3
InChIKeyTXNHRRXDBPKHAW-UHFFFAOYSA-N
MW250.36 g/mol
LogP-0.61
Rot. Bonds7

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

N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine (PubChem CID 102700923) has the molecular formula C10H22N2O3S and a molecular weight of 250.36 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
PubChem CID102700923
Molecular FormulaC10H22N2O3S
Molecular Weight250.36 g/mol
Exact Mass250.14
IUPAC NameN'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine
SMILESCOC(C)CNCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C10H22N2O3S/c1-9(15-2)7-11-4-5-12-10-3-6-16(13,14)8-10/h9-12H,3-8H2,1-2H3
InChIKeyTXNHRRXDBPKHAW-UHFFFAOYSA-N
XLogP-0.61
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methylhexyl)-1,1-dioxothiolan-3-amine
CID 115325005
N'-(1-cyclopropylethyl)-N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62556979
N-(1,1-dioxothiolan-3-yl)-N'-(2-methoxyethyl)-N'-pentan-3-ylethane-1,2-diamine
CID 62557736
2-[[(3S)-1,1-dioxothiolan-3-yl]amino]ethanol
CID 7058904
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine
CID 2772236
N-(3,3-dimethylbutyl)-1,1-dioxothiolan-3-amine
CID 60683378
N-(2,2-dimethoxyethyl)-1,1-dioxothian-3-amine
CID 63923418
methyl 2-bromo-3-[(1,1-dioxothiolan-3-yl)amino]propanoate
CID 103231379
N'-(1,1-dioxothiolan-3-yl)ethane-1,2-diamine;hydrochloride
CID 146012772
N-(3-fluoropropyl)-1,1-dioxothiolan-3-amine
CID 81105550
N-(1,1-dioxothian-4-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635054
N-[2-(1,1-dioxothiolan-3-yl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 46398595

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine (CID 102700923) is N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine is COC(C)CNCCNC1CCS(=O)(=O)C1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
The InChIKey is TXNHRRXDBPKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3S/c1-9(15-2)7-11-4-5-12-10-3-6-16(13,14)8-10/h9-12H,3-8H2,1-2H3.
What are the key properties of N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine?
N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine has a molecular weight of 250.36 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)-N-(2-methoxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 102700923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).