(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide

C6H14N2O2S — CID 143368080

IUPAC(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide
SMILESC=CC(C)(N)C(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-4-6(3,7)5(2)11(8,9)10/h4-5H,1,7H2,2-3H3,(H2,8,9,10)
InChIKeyHAXXKQYAKDQWHY-UHFFFAOYSA-N
MW178.26 g/mol
LogP-0.43
Rot. Bonds3

About (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide

(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide (PubChem CID 143368080) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide.

Molecular Properties

Compound Name(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide
PubChem CID143368080
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide
SMILESC=CC(C)(N)C(C)S(N)(=O)=O
InChIInChI=1S/C6H14N2O2S/c1-4-6(3,7)5(2)11(8,9)10/h4-5H,1,7H2,2-3H3,(H2,8,9,10)
InChIKeyHAXXKQYAKDQWHY-UHFFFAOYSA-N
XLogP-0.43
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(methylidene-oxo-propan-2-yl-λ6-sulfanyl)propan-2-amine
CID 140616385
2-methylhex-5-ene-3-sulfonamide
CID 130367234
2,2-dimethyl-3-[methyl(sulfamoyl)amino]butane
CID 60745460
1-sulfamoylethyl prop-2-enoate
CID 19880963
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
CID 118903407
2,6-dimethyloct-7-ene-4-sulfonamide
CID 166665383
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
CID 145359201
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
chloromethane;prop-2-ene-1-sulfonamide
CID 174937700
ethenesulfonamide
CID 520075

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide?
The IUPAC name of (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide (CID 143368080) is (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide.
What is the SMILES notation for (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide?
The canonical SMILES for (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide is C=CC(C)(N)C(C)S(N)(=O)=O.
What is the InChIKey of (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide?
The InChIKey is HAXXKQYAKDQWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2S/c1-4-6(3,7)5(2)11(8,9)10/h4-5H,1,7H2,2-3H3,(H2,8,9,10).
What are the key properties of (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide?
(2S)-3-amino-3-methylpent-4-ene-2-sulfonamide has a molecular weight of 178.26 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-3-methylpent-4-ene-2-sulfonamide is sourced from PubChem (CID 143368080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).