N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide

C11H26N2O2S2 — CID 106064773

IUPACN-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O2S2/c1-9(2)12-7-11(4)17(14,15)13-6-10(3)8-16-5/h9-13H,6-8H2,1-5H3
InChIKeyLZKLUGAYVCJIMW-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.29
Rot. Bonds9

About N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide

N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide (PubChem CID 106064773) has the molecular formula C11H26N2O2S2 and a molecular weight of 282.48 g/mol. Its IUPAC name is N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
PubChem CID106064773
Molecular FormulaC11H26N2O2S2
Molecular Weight282.48 g/mol
Exact Mass282.14
IUPAC NameN-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
SMILESCSCC(C)CNS(=O)(=O)C(C)CNC(C)C
InChIInChI=1S/C11H26N2O2S2/c1-9(2)12-7-11(4)17(14,15)13-6-10(3)8-16-5/h9-13H,6-8H2,1-5H3
InChIKeyLZKLUGAYVCJIMW-UHFFFAOYSA-N
XLogP1.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylsulfanylpentyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114142684
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
N-(3-methylbutyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106059116
1-(propan-2-ylamino)-N-(2,2,3,3-tetrafluoropropyl)propane-2-sulfonamide
CID 106295870
N-(3-methylbutan-2-yl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106029944
N-(2-methoxy-2-methylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106079958
N-(2-ethoxyethyl)-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106019710
N-pentan-3-yl-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106032073
1-methyl-N-(2-methyl-3-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106064792
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 106087102
1-(propan-2-ylamino)-N-(thiolan-2-ylmethyl)propane-2-sulfonamide
CID 106071625
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The IUPAC name of N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide (CID 106064773) is N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide.
What is the SMILES notation for N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The canonical SMILES for N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide is CSCC(C)CNS(=O)(=O)C(C)CNC(C)C.
What is the InChIKey of N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
The InChIKey is LZKLUGAYVCJIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S2/c1-9(2)12-7-11(4)17(14,15)13-6-10(3)8-16-5/h9-13H,6-8H2,1-5H3.
What are the key properties of N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide?
N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide has a molecular weight of 282.48 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-methylsulfanylpropyl)-1-(propan-2-ylamino)propane-2-sulfonamide is sourced from PubChem (CID 106064773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).