1-(aminosulfonimidoyl)-2-methylbutane

C5H14N2OS — CID 154660444

IUPAC1-(aminosulfonimidoyl)-2-methylbutane
SMILES[H]N=S(N)(=O)CC(C)CC
InChIInChI=1S/C5H14N2OS/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3,(H3,6,7,8)
InChIKeyMMJPORKEQRZXCH-UHFFFAOYSA-N
MW150.25 g/mol
LogP0.95
Rot. Bonds3

About 1-(aminosulfonimidoyl)-2-methylbutane

1-(aminosulfonimidoyl)-2-methylbutane (PubChem CID 154660444) has the molecular formula C5H14N2OS and a molecular weight of 150.25 g/mol. Its IUPAC name is 1-(aminosulfonimidoyl)-2-methylbutane.

Molecular Properties

Compound Name1-(aminosulfonimidoyl)-2-methylbutane
PubChem CID154660444
Molecular FormulaC5H14N2OS
Molecular Weight150.25 g/mol
Exact Mass150.08
IUPAC Name1-(aminosulfonimidoyl)-2-methylbutane
SMILES[H]N=S(N)(=O)CC(C)CC
InChIInChI=1S/C5H14N2OS/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3,(H3,6,7,8)
InChIKeyMMJPORKEQRZXCH-UHFFFAOYSA-N
XLogP0.95
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylbutylsulfonyl)butane
CID 57266964
imino-[(2S)-2-methylbutyl]-oxo-propyl-λ6-sulfane
CID 125455805
2-methylbutane-1-sulfonic acid;yttrium
CID 59092791
methyl 2-methylbutane-1-sulfonate
CID 20609497
(2R)-N-ethyl-N,2-dimethylbutane-1-sulfonamide
CID 97095663
[4-(2-methylbutylsulfonylmethyl)phenyl]methanamine
CID 107767146
(3R)-2-methylpentane-3-sulfonamide
CID 94347262
2-methyl-N-methylsulfonylbutane-1-sulfonamide
CID 158232370
2-(2-methylbutylsulfonyl)propanoic acid
CID 62105863
2-ethylbutane-1-sulfonate;methane;2-methylbutane-1-sulfonate
CID 164995668
4-(2-methylbutylsulfonyl)aniline
CID 62105526
methyl 2-methyl-3-(2-methylbutylsulfonyl)propanoate
CID 66113362

Frequently Asked Questions

What is the IUPAC name of 1-(aminosulfonimidoyl)-2-methylbutane?
The IUPAC name of 1-(aminosulfonimidoyl)-2-methylbutane (CID 154660444) is 1-(aminosulfonimidoyl)-2-methylbutane.
What is the SMILES notation for 1-(aminosulfonimidoyl)-2-methylbutane?
The canonical SMILES for 1-(aminosulfonimidoyl)-2-methylbutane is [H]N=S(N)(=O)CC(C)CC.
What is the InChIKey of 1-(aminosulfonimidoyl)-2-methylbutane?
The InChIKey is MMJPORKEQRZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2OS/c1-3-5(2)4-9(6,7)8/h5H,3-4H2,1-2H3,(H3,6,7,8).
What are the key properties of 1-(aminosulfonimidoyl)-2-methylbutane?
1-(aminosulfonimidoyl)-2-methylbutane has a molecular weight of 150.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminosulfonimidoyl)-2-methylbutane is sourced from PubChem (CID 154660444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).