N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine

C10H22N2OS — CID 62634173

IUPACN'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CCS(=O)CC1
InChIInChI=1S/C10H22N2OS/c1-3-12(2)7-6-11-10-4-8-14(13)9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyRAFFOTPXZYCOMV-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.44
Rot. Bonds5

About N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine (PubChem CID 62634173) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine
PubChem CID62634173
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine
SMILESCCN(C)CCNC1CCS(=O)CC1
InChIInChI=1S/C10H22N2OS/c1-3-12(2)7-6-11-10-4-8-14(13)9-5-10/h10-11H,3-9H2,1-2H3
InChIKeyRAFFOTPXZYCOMV-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine (CID 62634173) is N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine is CCN(C)CCNC1CCS(=O)CC1.
What is the InChIKey of N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine?
The InChIKey is RAFFOTPXZYCOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-3-12(2)7-6-11-10-4-8-14(13)9-5-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine has a molecular weight of 218.37 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(1-oxothian-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62634173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).