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

C9H22N2O2S — CID 112691055

IUPAC3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCCC(C)(C)N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-9(2,3)11(4)7-6-8-14(10,12)13/h5-8H2,1-4H3,(H2,10,12,13)
InChIKeyCIKLIUWZWABSJO-UHFFFAOYSA-N
MW222.35 g/mol
LogP0.79
Rot. Bonds6

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

3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide (PubChem CID 112691055) has the molecular formula C9H22N2O2S and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
PubChem CID112691055
Molecular FormulaC9H22N2O2S
Molecular Weight222.35 g/mol
Exact Mass222.14
IUPAC Name3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide
SMILESCCC(C)(C)N(C)CCCS(N)(=O)=O
InChIInChI=1S/C9H22N2O2S/c1-5-9(2,3)11(4)7-6-8-14(10,12)13/h5-8H2,1-4H3,(H2,10,12,13)
InChIKeyCIKLIUWZWABSJO-UHFFFAOYSA-N
XLogP0.79
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2-methylbutan-2-yl)hexan-1-amine
CID 167034677
1-N,4-N-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,4-diamine
CID 63982710
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
methyl 4-[methyl(2-methylbutan-2-yl)amino]butanoate
CID 63965064
propane-1,3-disulfonamide
CID 22153832
N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
CID 63983300
3-[methyl(1-methylsulfanylbutan-2-yl)amino]propane-1-sulfonamide
CID 112551530
3-[propyl(2,2,2-trifluoroethyl)amino]propane-1-sulfonamide
CID 112689923
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
ethane;propane;N,N,N'-trimethyl-N'-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 171506447

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide (CID 112691055) is 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide is CCC(C)(C)N(C)CCCS(N)(=O)=O.
What is the InChIKey of 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide?
The InChIKey is CIKLIUWZWABSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O2S/c1-5-9(2,3)11(4)7-6-8-14(10,12)13/h5-8H2,1-4H3,(H2,10,12,13).
What are the key properties of 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide?
3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide has a molecular weight of 222.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutan-2-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 112691055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).