(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene

C7H16N2O2S — CID 159024796

IUPAC(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene
SMILESC=CC[C@H](C)N(CC)S(N)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-6-7(3)9(5-2)12(8,10)11/h4,7H,1,5-6H2,2-3H3,(H2,8,10,11)/t7-/m0/s1
InChIKeyJUDLPAXUZWNCMV-ZETCQYMHSA-N
MW192.28 g/mol
LogP0.48
Rot. Bonds5

About (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene

(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene (PubChem CID 159024796) has the molecular formula C7H16N2O2S and a molecular weight of 192.28 g/mol. Its IUPAC name is (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene.

Molecular Properties

Compound Name(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene
PubChem CID159024796
Molecular FormulaC7H16N2O2S
Molecular Weight192.28 g/mol
Exact Mass192.09
IUPAC Name(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene
SMILESC=CC[C@H](C)N(CC)S(N)(=O)=O
InChIInChI=1S/C7H16N2O2S/c1-4-6-7(3)9(5-2)12(8,10)11/h4,7H,1,5-6H2,2-3H3,(H2,8,10,11)/t7-/m0/s1
InChIKeyJUDLPAXUZWNCMV-ZETCQYMHSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene?
The IUPAC name of (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene (CID 159024796) is (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene.
What is the SMILES notation for (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene?
The canonical SMILES for (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene is C=CC[C@H](C)N(CC)S(N)(=O)=O.
What is the InChIKey of (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene?
The InChIKey is JUDLPAXUZWNCMV-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16N2O2S/c1-4-6-7(3)9(5-2)12(8,10)11/h4,7H,1,5-6H2,2-3H3,(H2,8,10,11)/t7-/m0/s1.
What are the key properties of (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene?
(4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene has a molecular weight of 192.28 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[ethyl(sulfamoyl)amino]pent-1-ene is sourced from PubChem (CID 159024796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).