N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide

C11H25NO2S — CID 89281493

IUPACN-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-6-7-8-12(11(4)5)15(13,14)9-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyNZKUBNPWYWPQEX-UHFFFAOYSA-N
MW235.39 g/mol
LogP2.48
Rot. Bonds7

About N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide

N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide (PubChem CID 89281493) has the molecular formula C11H25NO2S and a molecular weight of 235.39 g/mol. Its IUPAC name is N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
PubChem CID89281493
Molecular FormulaC11H25NO2S
Molecular Weight235.39 g/mol
Exact Mass235.16
IUPAC NameN-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide
SMILESCCCCN(C(C)C)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H25NO2S/c1-6-7-8-12(11(4)5)15(13,14)9-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyNZKUBNPWYWPQEX-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3453334
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CID 11062646
3-[butylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996337
N-[2-(methylamino)ethyl]-N-propan-2-ylpropane-1-sulfonamide
CID 165444691
N-(3-bromopropyl)-2,2-dimethyl-N-propan-2-ylpropane-1-sulfonamide
CID 80672142
1-(dibutylamino)ethanesulfonamide
CID 87395686
4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 65480215
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-butyl-N-(2-methylpropyl)thiohydroxylamine
CID 155330596
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The IUPAC name of N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide (CID 89281493) is N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide.
What is the SMILES notation for N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The canonical SMILES for N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide is CCCCN(C(C)C)S(=O)(=O)CC(C)C.
What is the InChIKey of N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
The InChIKey is NZKUBNPWYWPQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S/c1-6-7-8-12(11(4)5)15(13,14)9-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide?
N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide has a molecular weight of 235.39 g/mol, XLogP of 2.48, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-propan-2-ylpropane-1-sulfonamide is sourced from PubChem (CID 89281493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).