3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide

C9H22N2O2S2 — CID 112551530

IUPAC3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCCC(CSC)N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S2/c1-4-9(8-14-3)11(2)6-5-7-15(10,12)13/h9H,4-8H2,1-3H3,(H2,10,12,13)
InChIKeyXNQBLUHUSIPHDD-UHFFFAOYSA-N
MW254.42 g/mol
LogP0.74
Rot. Bonds8

About 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide

3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide (PubChem CID 112551530) has the molecular formula C9H22N2O2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
PubChem CID112551530
Molecular FormulaC9H22N2O2S2
Molecular Weight254.42 g/mol
Exact Mass254.11
IUPAC Name3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCCC(CSC)N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S2/c1-4-9(8-14-3)11(2)6-5-7-15(10,12)13/h9H,4-8H2,1-3H3,(H2,10,12,13)
InChIKeyXNQBLUHUSIPHDD-UHFFFAOYSA-N
XLogP0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-(1-methylsulfanylbutan-2-yl)heptane-1,7-diamine
CID 112660940
4-[3-[methyl(1-methylsulfanylbutan-2-yl)amino]propyl]aniline
CID 112660972
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)propane-1,3-diamine
CID 112665719
N'-methyl-N-(2-methylpropyl)-N'-(1-methylsulfanylbutan-2-yl)pentane-1,5-diamine
CID 112665724
4-[methyl(1-methylsulfanylbutan-2-yl)amino]-1-phenylbutan-1-one
CID 112662012
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
2-amino-3-[methyl(1-methylsulfanylbutan-2-yl)amino]propanoic acid
CID 112661509
3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
CID 112691055
N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)butane-1,4-diamine
CID 112660954
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667380
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-methylsulfanylbutan-2-yl)pentane-1,3-diamine
CID 112664841

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide (CID 112551530) is 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide is CCC(CSC)N(C)CCCS(N)(=O)=O.
What is the InChIKey of 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide?
The InChIKey is XNQBLUHUSIPHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S2/c1-4-9(8-14-3)11(2)6-5-7-15(10,12)13/h9H,4-8H2,1-3H3,(H2,10,12,13).
What are the key properties of 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide?
3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide has a molecular weight of 254.42 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 112551530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).