N-methyl-2-pentylsulfinylethanamine

C8H19NOS — CID 107758823

IUPACN-methyl-2-pentylsulfinylethanamine
SMILESCCCCCS(=O)CCNC
InChIInChI=1S/C8H19NOS/c1-3-4-5-7-11(10)8-6-9-2/h9H,3-8H2,1-2H3
InChIKeyFHNNYWQXQPDIFI-UHFFFAOYSA-N
MW177.31 g/mol
LogP1.14
Rot. Bonds7

About N-methyl-2-pentylsulfinylethanamine

N-methyl-2-pentylsulfinylethanamine (PubChem CID 107758823) has the molecular formula C8H19NOS and a molecular weight of 177.31 g/mol. Its IUPAC name is N-methyl-2-pentylsulfinylethanamine.

Molecular Properties

Compound NameN-methyl-2-pentylsulfinylethanamine
PubChem CID107758823
Molecular FormulaC8H19NOS
Molecular Weight177.31 g/mol
Exact Mass177.12
IUPAC NameN-methyl-2-pentylsulfinylethanamine
SMILESCCCCCS(=O)CCNC
InChIInChI=1S/C8H19NOS/c1-3-4-5-7-11(10)8-6-9-2/h9H,3-8H2,1-2H3
InChIKeyFHNNYWQXQPDIFI-UHFFFAOYSA-N
XLogP1.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 51.14
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

1-heptadecylsulfinylheptadecane
CID 54059826
1-(2-fluoroethylsulfinyl)pentane
CID 56992126
3-pentylsulfinylpropan-1-ol
CID 12518269
1-ethylsulfinyloctane
CID 54141160
1-ethylsulfinylhexane
CID 18965294
1-propylsulfinylbutane
CID 564183
tetradecylsulfinylmethanol
CID 88782233
2-[(S)-dodecylsulfinyl]-N,N-dimethylethanamine
CID 166889153
N-methyltriacontan-1-amine
CID 19840895
N-methyl-2-(2-methylbutylsulfinyl)ethanamine
CID 107759940
5-pentylsulfinylpentan-2-amine
CID 107758796
N-methylbutan-1-amine
CID 8068

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pentylsulfinylethanamine?
The IUPAC name of N-methyl-2-pentylsulfinylethanamine (CID 107758823) is N-methyl-2-pentylsulfinylethanamine.
What is the SMILES notation for N-methyl-2-pentylsulfinylethanamine?
The canonical SMILES for N-methyl-2-pentylsulfinylethanamine is CCCCCS(=O)CCNC.
What is the InChIKey of N-methyl-2-pentylsulfinylethanamine?
The InChIKey is FHNNYWQXQPDIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NOS/c1-3-4-5-7-11(10)8-6-9-2/h9H,3-8H2,1-2H3.
What are the key properties of N-methyl-2-pentylsulfinylethanamine?
N-methyl-2-pentylsulfinylethanamine has a molecular weight of 177.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pentylsulfinylethanamine is sourced from PubChem (CID 107758823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).