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

C9H16NO2S- — CID 166665807

IUPAC[[(2S)-pent-4-en-2-yl]-sulfinatoamino]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)/p-1/t8-/m0/s1
InChIKeyUHLPJRUMKJPGEY-QMMMGPOBSA-M
MW202.30 g/mol
LogP1.46
Rot. Bonds6

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

[[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane (PubChem CID 166665807) has the molecular formula C9H16NO2S- and a molecular weight of 202.30 g/mol. Its IUPAC name is [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane.

Molecular Properties

Compound Name[[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane
PubChem CID166665807
Molecular FormulaC9H16NO2S-
Molecular Weight202.30 g/mol
Exact Mass202.09
IUPAC Name[[(2S)-pent-4-en-2-yl]-sulfinatoamino]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)/p-1/t8-/m0/s1
InChIKeyUHLPJRUMKJPGEY-QMMMGPOBSA-M
XLogP1.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane?
The IUPAC name of [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane (CID 166665807) is [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane.
What is the SMILES notation for [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane?
The canonical SMILES for [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane is C=CC[C@H](C)N(CC1CC1)S(=O)[O-].
What is the InChIKey of [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane?
The InChIKey is UHLPJRUMKJPGEY-QMMMGPOBSA-M. 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)/p-1/t8-/m0/s1.
What are the key properties of [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane?
[[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane has a molecular weight of 202.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(2S)-pent-4-en-2-yl]-sulfinatoamino]methylcyclopropane is sourced from PubChem (CID 166665807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).