N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide

C9H20N2O2S — CID 62854210

IUPACN-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C9H20N2O2S/c1-10-6-7-14(12,13)11(2)8-9-4-3-5-9/h9-10H,3-8H2,1-2H3
InChIKeyHBLCLDONNDPECZ-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.27
Rot. Bonds6

About N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide

N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide (PubChem CID 62854210) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
PubChem CID62854210
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC NameN-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide
SMILESCNCCS(=O)(=O)N(C)CC1CCC1
InChIInChI=1S/C9H20N2O2S/c1-10-6-7-14(12,13)11(2)8-9-4-3-5-9/h9-10H,3-8H2,1-2H3
InChIKeyHBLCLDONNDPECZ-UHFFFAOYSA-N
XLogP0.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide (CID 62854210) is N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide is CNCCS(=O)(=O)N(C)CC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide?
The InChIKey is HBLCLDONNDPECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-10-6-7-14(12,13)11(2)8-9-4-3-5-9/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide?
N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide has a molecular weight of 220.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-methyl-2-(methylamino)ethanesulfonamide is sourced from PubChem (CID 62854210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).