2-pentylsulfinyl-N-propylpentan-3-amine

C13H29NOS — CID 107758770

IUPAC2-pentylsulfinyl-N-propylpentan-3-amine
SMILESCCCCCS(=O)C(C)C(CC)NCCC
InChIInChI=1S/C13H29NOS/c1-5-8-9-11-16(15)12(4)13(7-3)14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyGFILCCCPNKAQKL-UHFFFAOYSA-N
MW247.45 g/mol
LogP3.09
Rot. Bonds10

About 2-pentylsulfinyl-N-propylpentan-3-amine

2-pentylsulfinyl-N-propylpentan-3-amine (PubChem CID 107758770) has the molecular formula C13H29NOS and a molecular weight of 247.45 g/mol. Its IUPAC name is 2-pentylsulfinyl-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-pentylsulfinyl-N-propylpentan-3-amine
PubChem CID107758770
Molecular FormulaC13H29NOS
Molecular Weight247.45 g/mol
Exact Mass247.20
IUPAC Name2-pentylsulfinyl-N-propylpentan-3-amine
SMILESCCCCCS(=O)C(C)C(CC)NCCC
InChIInChI=1S/C13H29NOS/c1-5-8-9-11-16(15)12(4)13(7-3)14-10-6-2/h12-14H,5-11H2,1-4H3
InChIKeyGFILCCCPNKAQKL-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.45
LogP ≤ 53.09
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-(2-methylsulfonylethylsulfinyl)-N-propylpentan-3-amine
CID 64659149
N-propyl-3-propylsulfinylbutan-2-amine
CID 64651123
2-[3-(ethylamino)pentan-2-ylsulfinyl]-N-propylacetamide
CID 114232693
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-[(2-chlorophenyl)methylsulfinyl]-N-propylpentan-3-amine
CID 103290329
2-(3-methoxypropylsulfinyl)-N-methylpentan-3-amine
CID 64658222
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
N-ethyl-4-pentylsulfinylpentan-2-amine
CID 107758976
3-methyl-N-propylhexadecan-4-amine
CID 63717053
3,3-dimethyl-1-pentylsulfinyl-N-propylbutan-2-amine
CID 107758876
2-pentylsulfinylpropan-1-amine
CID 81186667
3-ethylsulfinyl-N-propylbutan-2-amine
CID 64651293

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinyl-N-propylpentan-3-amine?
The IUPAC name of 2-pentylsulfinyl-N-propylpentan-3-amine (CID 107758770) is 2-pentylsulfinyl-N-propylpentan-3-amine.
What is the SMILES notation for 2-pentylsulfinyl-N-propylpentan-3-amine?
The canonical SMILES for 2-pentylsulfinyl-N-propylpentan-3-amine is CCCCCS(=O)C(C)C(CC)NCCC.
What is the InChIKey of 2-pentylsulfinyl-N-propylpentan-3-amine?
The InChIKey is GFILCCCPNKAQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NOS/c1-5-8-9-11-16(15)12(4)13(7-3)14-10-6-2/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-pentylsulfinyl-N-propylpentan-3-amine?
2-pentylsulfinyl-N-propylpentan-3-amine has a molecular weight of 247.45 g/mol, XLogP of 3.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinyl-N-propylpentan-3-amine is sourced from PubChem (CID 107758770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).