N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide

C9H20N2O2S2 — CID 106334177

IUPACN-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CSC(C)C1
InChIInChI=1S/C9H20N2O2S2/c1-3-11-15(12,13)5-4-10-9-6-8(2)14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyMFTPYGPCZMOTEP-UHFFFAOYSA-N
MW252.40 g/mol
LogP0.41
Rot. Bonds6

About N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide

N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide (PubChem CID 106334177) has the molecular formula C9H20N2O2S2 and a molecular weight of 252.40 g/mol. Its IUPAC name is N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
PubChem CID106334177
Molecular FormulaC9H20N2O2S2
Molecular Weight252.40 g/mol
Exact Mass252.10
IUPAC NameN-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide
SMILESCCNS(=O)(=O)CCNC1CSC(C)C1
InChIInChI=1S/C9H20N2O2S2/c1-3-11-15(12,13)5-4-10-9-6-8(2)14-7-9/h8-11H,3-7H2,1-2H3
InChIKeyMFTPYGPCZMOTEP-UHFFFAOYSA-N
XLogP0.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methylcyclohexyl)amino]ethanesulfonamide
CID 115653668
2-[(3-aminocyclopentyl)amino]-N-ethylethanesulfonamide
CID 106334534
2-[(5,5-dimethylthian-3-yl)amino]-N-ethylethanesulfonamide
CID 106334525
2-(2,3-dihydro-1H-inden-2-ylamino)-N-ethylethanesulfonamide
CID 103901891
N',N'-diethyl-N-(5-methylthiolan-3-yl)propane-1,3-diamine
CID 79941874
5-methyl-N-pent-3-ynylthiolan-3-amine
CID 116642802
5-methyl-N-(3-methylsulfanylpropyl)thiolan-3-amine
CID 79950806
N-ethyl-2-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]ethanesulfonamide
CID 103952149
N-(4-methoxybutyl)-5-methylthiolan-3-amine
CID 79949134
N-ethylpropane-1-sulfonamide;hydrochloride
CID 22017686
N-ethyl-2-[(2-oxoazepan-4-yl)amino]ethanesulfonamide
CID 106336200
2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-N-ethylethanesulfonamide
CID 103901946

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide?
The IUPAC name of N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide (CID 106334177) is N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide.
What is the SMILES notation for N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide?
The canonical SMILES for N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide is CCNS(=O)(=O)CCNC1CSC(C)C1.
What is the InChIKey of N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide?
The InChIKey is MFTPYGPCZMOTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S2/c1-3-11-15(12,13)5-4-10-9-6-8(2)14-7-9/h8-11H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide?
N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide has a molecular weight of 252.40 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methylthiolan-3-yl)amino]ethanesulfonamide is sourced from PubChem (CID 106334177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).