2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide

C11H24N2O2S2 — CID 106334525

IUPAC2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CSCC(C)(C)C1
InChIInChI=1S/C11H24N2O2S2/c1-4-13-17(14,15)6-5-12-10-7-11(2,3)9-16-8-10/h10,12-13H,4-9H2,1-3H3
InChIKeyWINATVKGCVAIMR-UHFFFAOYSA-N
MW280.46 g/mol
LogP1.05
Rot. Bonds6

About 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide

2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106334525) has the molecular formula C11H24N2O2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
PubChem CID106334525
Molecular FormulaC11H24N2O2S2
Molecular Weight280.46 g/mol
Exact Mass280.13
IUPAC Name2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CSCC(C)(C)C1
InChIInChI=1S/C11H24N2O2S2/c1-4-13-17(14,15)6-5-12-10-7-11(2,3)9-16-8-10/h10,12-13H,4-9H2,1-3H3
InChIKeyWINATVKGCVAIMR-UHFFFAOYSA-N
XLogP1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
CID 106334177
N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
3-[(5,5-dimethylthian-3-yl)amino]-N-methylpropanamide
CID 79958079
5,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]thian-3-amine
CID 79955873
5,5-dimethyl-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]thian-3-amine
CID 79958732
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
CID 106334534
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
CID 103901946
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
CID 106336200
5,5-dimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]thian-3-amine
CID 79959217
[1-[[(5,5-dimethylthian-3-yl)amino]methyl]cyclopropyl]methanol
CID 115454320

Frequently Asked Questions

What is the IUPAC name of 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide (CID 106334525) is 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNC1CSCC(C)(C)C1.
What is the InChIKey of 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is WINATVKGCVAIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S2/c1-4-13-17(14,15)6-5-12-10-7-11(2,3)9-16-8-10/h10,12-13H,4-9H2,1-3H3.
What are the key properties of 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide?
2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 280.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).