2-methylpropane-1-sulfonamide

C4H11NO2S — CID 10197726

IUPAC2-methylpropane-1-sulfonamide
SMILESCC(C)CS(N)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyIWEYZXWPWNBRLG-UHFFFAOYSA-N
MW137.20 g/mol
LogP-0.07
Rot. Bonds2

About 2-methylpropane-1-sulfonamide

2-methylpropane-1-sulfonamide (PubChem CID 10197726) has the molecular formula C4H11NO2S and a molecular weight of 137.20 g/mol. Its IUPAC name is 2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name2-methylpropane-1-sulfonamide
PubChem CID10197726
Molecular FormulaC4H11NO2S
Molecular Weight137.20 g/mol
Exact Mass137.05
IUPAC Name2-methylpropane-1-sulfonamide
SMILESCC(C)CS(N)(=O)=O
InChIInChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7)
InChIKeyIWEYZXWPWNBRLG-UHFFFAOYSA-N
XLogP-0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.20
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methanamine;2-methylpropane-1-sulfonic acid
CID 172748561
2,2-bis(trimethylsilyl)ethanesulfonamide
CID 58152074
1-sulfamoylpropan-2-ylcarbamic acid
CID 170165167
2-[2-(2-methylpropoxy)ethoxymethyl]butane-1-sulfonamide
CID 106450633
methyl-methylidene-(2-methylpropyl)-oxo-λ6-sulfane
CID 147389699
4-methylpentane-2-sulfonamide
CID 54354651
azane;2-methyl-1-methylsulfonylpropane;hydrochloride
CID 87536413
3-methyl-2-(3-methylbutoxymethyl)butane-1-sulfonamide
CID 65012689
ethyl-imino-(2-methylpropyl)-oxo-λ6-sulfane
CID 125455135
1-(diiodomethylsulfonyl)-2-methylpropane
CID 21439589
acetic acid;methanamine;2-methylpropane-1-sulfonic acid
CID 174998027
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane-1-sulfonamide?
The IUPAC name of 2-methylpropane-1-sulfonamide (CID 10197726) is 2-methylpropane-1-sulfonamide.
What is the SMILES notation for 2-methylpropane-1-sulfonamide?
The canonical SMILES for 2-methylpropane-1-sulfonamide is CC(C)CS(N)(=O)=O.
What is the InChIKey of 2-methylpropane-1-sulfonamide?
The InChIKey is IWEYZXWPWNBRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2S/c1-4(2)3-8(5,6)7/h4H,3H2,1-2H3,(H2,5,6,7).
What are the key properties of 2-methylpropane-1-sulfonamide?
2-methylpropane-1-sulfonamide has a molecular weight of 137.20 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane-1-sulfonamide is sourced from PubChem (CID 10197726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).