N-ethyl-4-pentylsulfinylpentan-2-amine

C12H27NOS — CID 107758976

IUPACN-ethyl-4-pentylsulfinylpentan-2-amine
SMILESCCCCCS(=O)C(C)CC(C)NCC
InChIInChI=1S/C12H27NOS/c1-5-7-8-9-15(14)12(4)10-11(3)13-6-2/h11-13H,5-10H2,1-4H3
InChIKeyAEADUZCZFZNRNP-UHFFFAOYSA-N
MW233.42 g/mol
LogP2.70
Rot. Bonds9

About N-ethyl-4-pentylsulfinylpentan-2-amine

N-ethyl-4-pentylsulfinylpentan-2-amine (PubChem CID 107758976) has the molecular formula C12H27NOS and a molecular weight of 233.42 g/mol. Its IUPAC name is N-ethyl-4-pentylsulfinylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-pentylsulfinylpentan-2-amine
PubChem CID107758976
Molecular FormulaC12H27NOS
Molecular Weight233.42 g/mol
Exact Mass233.18
IUPAC NameN-ethyl-4-pentylsulfinylpentan-2-amine
SMILESCCCCCS(=O)C(C)CC(C)NCC
InChIInChI=1S/C12H27NOS/c1-5-7-8-9-15(14)12(4)10-11(3)13-6-2/h11-13H,5-10H2,1-4H3
InChIKeyAEADUZCZFZNRNP-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.42
LogP ≤ 52.70
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

N-ethyl-4-(3-methylbutylsulfinyl)pentan-2-amine
CID 107760649
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
4-butylsulfinyl-N-methylpentan-2-amine
CID 64703029
N-ethyl-4-(2-methoxyethylsulfinyl)pentan-2-amine
CID 64704822
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
2-pentylsulfinylpropan-1-amine
CID 81186667
2-heptylsulfinylpropan-1-amine
CID 81186656
2-nonylsulfinylpropan-1-amine
CID 81187131
4-(2-methoxyethylsulfinyl)-N-propylpentan-2-amine
CID 64704821
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
3-octylsulfinylbutanoic acid
CID 66114161
3-butan-2-ylsulfinyl-N-ethylpropan-1-amine
CID 64651704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-pentylsulfinylpentan-2-amine?
The IUPAC name of N-ethyl-4-pentylsulfinylpentan-2-amine (CID 107758976) is N-ethyl-4-pentylsulfinylpentan-2-amine.
What is the SMILES notation for N-ethyl-4-pentylsulfinylpentan-2-amine?
The canonical SMILES for N-ethyl-4-pentylsulfinylpentan-2-amine is CCCCCS(=O)C(C)CC(C)NCC.
What is the InChIKey of N-ethyl-4-pentylsulfinylpentan-2-amine?
The InChIKey is AEADUZCZFZNRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NOS/c1-5-7-8-9-15(14)12(4)10-11(3)13-6-2/h11-13H,5-10H2,1-4H3.
What are the key properties of N-ethyl-4-pentylsulfinylpentan-2-amine?
N-ethyl-4-pentylsulfinylpentan-2-amine has a molecular weight of 233.42 g/mol, XLogP of 2.70, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-pentylsulfinylpentan-2-amine is sourced from PubChem (CID 107758976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).