1-(sulfinoamino)pentane

C5H13NO2S — CID 19067791

IUPAC1-(sulfinoamino)pentane
SMILESCCCCCNS(=O)O
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyHAPAKXDNFAVVAF-UHFFFAOYSA-N
MW151.23 g/mol
LogP0.90
Rot. Bonds5

About 1-(sulfinoamino)pentane

1-(sulfinoamino)pentane (PubChem CID 19067791) has the molecular formula C5H13NO2S and a molecular weight of 151.23 g/mol. Its IUPAC name is 1-(sulfinoamino)pentane.

Molecular Properties

Compound Name1-(sulfinoamino)pentane
PubChem CID19067791
Molecular FormulaC5H13NO2S
Molecular Weight151.23 g/mol
Exact Mass151.07
IUPAC Name1-(sulfinoamino)pentane
SMILESCCCCCNS(=O)O
InChIInChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8)
InChIKeyHAPAKXDNFAVVAF-UHFFFAOYSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(sulfinoamino)pentane?
The IUPAC name of 1-(sulfinoamino)pentane (CID 19067791) is 1-(sulfinoamino)pentane.
What is the SMILES notation for 1-(sulfinoamino)pentane?
The canonical SMILES for 1-(sulfinoamino)pentane is CCCCCNS(=O)O.
What is the InChIKey of 1-(sulfinoamino)pentane?
The InChIKey is HAPAKXDNFAVVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO2S/c1-2-3-4-5-6-9(7)8/h6H,2-5H2,1H3,(H,7,8).
What are the key properties of 1-(sulfinoamino)pentane?
1-(sulfinoamino)pentane has a molecular weight of 151.23 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfinoamino)pentane is sourced from PubChem (CID 19067791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).