4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine

C10H22N2O4S2 — CID 79849787

IUPAC4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
SMILESCN(CCS(C)(=O)=O)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O4S2/c1-12(5-8-17(2,13)14)10(9-11)3-6-18(15,16)7-4-10/h3-9,11H2,1-2H3
InChIKeyQUKSFCZJQLMMIE-UHFFFAOYSA-N
MW298.43 g/mol
LogP-1.13
Rot. Bonds5

About 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine

4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine (PubChem CID 79849787) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
PubChem CID79849787
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine
SMILESCN(CCS(C)(=O)=O)C1(CN)CCS(=O)(=O)CC1
InChIInChI=1S/C10H22N2O4S2/c1-12(5-8-17(2,13)14)10(9-11)3-6-18(15,16)7-4-10/h3-9,11H2,1-2H3
InChIKeyQUKSFCZJQLMMIE-UHFFFAOYSA-N
XLogP-1.13
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine (CID 79849787) is 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine is CN(CCS(C)(=O)=O)C1(CN)CCS(=O)(=O)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine?
The InChIKey is QUKSFCZJQLMMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-12(5-8-17(2,13)14)10(9-11)3-6-18(15,16)7-4-10/h3-9,11H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine?
4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine has a molecular weight of 298.43 g/mol, XLogP of -1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(2-methylsulfonylethyl)-1,1-dioxothian-4-amine is sourced from PubChem (CID 79849787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).