2-heptylsulfinylpropan-1-amine

C10H23NOS — CID 81186656

IUPAC2-heptylsulfinylpropan-1-amine
SMILESCCCCCCCS(=O)C(C)CN
InChIInChI=1S/C10H23NOS/c1-3-4-5-6-7-8-13(12)10(2)9-11/h10H,3-9,11H2,1-2H3
InChIKeyPUUCWDDMYAIQMH-UHFFFAOYSA-N
MW205.37 g/mol
LogP2.05
Rot. Bonds8

About 2-heptylsulfinylpropan-1-amine

2-heptylsulfinylpropan-1-amine (PubChem CID 81186656) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is 2-heptylsulfinylpropan-1-amine.

Molecular Properties

Compound Name2-heptylsulfinylpropan-1-amine
PubChem CID81186656
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Name2-heptylsulfinylpropan-1-amine
SMILESCCCCCCCS(=O)C(C)CN
InChIInChI=1S/C10H23NOS/c1-3-4-5-6-7-8-13(12)10(2)9-11/h10H,3-9,11H2,1-2H3
InChIKeyPUUCWDDMYAIQMH-UHFFFAOYSA-N
XLogP2.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-nonylsulfinylpropan-1-amine
CID 81187131
2-pentylsulfinylpropan-1-amine
CID 81186667
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-(3-ethylsulfonylpropylsulfinyl)propan-1-amine
CID 81186331
3-octylsulfinylbutanoic acid
CID 66114161
3-butan-2-ylsulfinylpropan-1-amine
CID 58684272
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
3-methyl-2-nonylsulfinylbutanoic acid
CID 105355808
3-tridecylsulfinyldecan-2-ol
CID 173314811
1-heptadecylsulfinylheptadecane
CID 54059826
2-pentylsulfinylnonanamide
CID 87719790
6-butan-2-ylsulfinylhexan-3-amine
CID 106807943

Frequently Asked Questions

What is the IUPAC name of 2-heptylsulfinylpropan-1-amine?
The IUPAC name of 2-heptylsulfinylpropan-1-amine (CID 81186656) is 2-heptylsulfinylpropan-1-amine.
What is the SMILES notation for 2-heptylsulfinylpropan-1-amine?
The canonical SMILES for 2-heptylsulfinylpropan-1-amine is CCCCCCCS(=O)C(C)CN.
What is the InChIKey of 2-heptylsulfinylpropan-1-amine?
The InChIKey is PUUCWDDMYAIQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-3-4-5-6-7-8-13(12)10(2)9-11/h10H,3-9,11H2,1-2H3.
What are the key properties of 2-heptylsulfinylpropan-1-amine?
2-heptylsulfinylpropan-1-amine has a molecular weight of 205.37 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptylsulfinylpropan-1-amine is sourced from PubChem (CID 81186656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).