2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C10H19NO2S — CID 71162609

IUPAC2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESO=S(O)NC1CCC2CCCCC2C1
InChIInChI=1S/C10H19NO2S/c12-14(13)11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2,(H,12,13)
InChIKeyAAGVULJYZFXXDC-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.07
Rot. Bonds2

About 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 71162609) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID71162609
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESO=S(O)NC1CCC2CCCCC2C1
InChIInChI=1S/C10H19NO2S/c12-14(13)11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2,(H,12,13)
InChIKeyAAGVULJYZFXXDC-UHFFFAOYSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 71162609) is 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is O=S(O)NC1CCC2CCCCC2C1.
What is the InChIKey of 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is AAGVULJYZFXXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-14(13)11-10-6-5-8-3-1-2-4-9(8)7-10/h8-11H,1-7H2,(H,12,13).
What are the key properties of 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 217.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(sulfinoamino)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 71162609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).