[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane

C9H17NO2S — CID 166665808

IUPAC[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane
SMILESC=CC[C@H](C)N(CC1CC1)S(=O)O
InChIInChI=1S/C9H17NO2S/c1-3-4-8(2)10(13(11)12)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H,11,12)/t8-/m0/s1
InChIKeyUHLPJRUMKJPGEY-QMMMGPOBSA-N
MW203.31 g/mol
LogP1.80
Rot. Bonds6

About [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane

[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane (PubChem CID 166665808) has the molecular formula C9H17NO2S and a molecular weight of 203.31 g/mol. Its IUPAC name is [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane.

Molecular Properties

Compound Name[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane
PubChem CID166665808
Molecular FormulaC9H17NO2S
Molecular Weight203.31 g/mol
Exact Mass203.10
IUPAC Name[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane
SMILESC=CC[C@H](C)N(CC1CC1)S(=O)O
InChIInChI=1S/C9H17NO2S/c1-3-4-8(2)10(13(11)12)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H,11,12)/t8-/m0/s1
InChIKeyUHLPJRUMKJPGEY-QMMMGPOBSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane?
The IUPAC name of [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane (CID 166665808) is [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane.
What is the SMILES notation for [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane?
The canonical SMILES for [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane is C=CC[C@H](C)N(CC1CC1)S(=O)O.
What is the InChIKey of [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane?
The InChIKey is UHLPJRUMKJPGEY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2S/c1-3-4-8(2)10(13(11)12)7-9-5-6-9/h3,8-9H,1,4-7H2,2H3,(H,11,12)/t8-/m0/s1.
What are the key properties of [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane?
[[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane has a molecular weight of 203.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-pent-4-en-2-yl]-sulfinoamino]methylcyclopropane is sourced from PubChem (CID 166665808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).