N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine

C9H21NOS — CID 63857945

IUPACN-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSCCCOC
InChIInChI=1S/C9H21NOS/c1-3-5-10-6-9-12-8-4-7-11-2/h10H,3-9H2,1-2H3
InChIKeyKSYWYIBJYQNANA-UHFFFAOYSA-N
MW191.34 g/mol
LogP1.76
Rot. Bonds9

About N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine

N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine (PubChem CID 63857945) has the molecular formula C9H21NOS and a molecular weight of 191.34 g/mol. Its IUPAC name is N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
PubChem CID63857945
Molecular FormulaC9H21NOS
Molecular Weight191.34 g/mol
Exact Mass191.13
IUPAC NameN-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine
SMILESCCCNCCSCCCOC
InChIInChI=1S/C9H21NOS/c1-3-5-10-6-9-12-8-4-7-11-2/h10H,3-9H2,1-2H3
InChIKeyKSYWYIBJYQNANA-UHFFFAOYSA-N
XLogP1.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-Methoxypropyl)tetrahydrothiophen-3-amine
CID 2849476
(2-Methoxy-1-methylethyl)tetrahydro-3-thienylamine
CID 2849473
1-Oxa-4,10-dithia-7-azacyclododecane
CID 23002794
2-(2-methoxyethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62578009
2,2,2-trifluoro-N-[2-(3-methoxypropylsulfanyl)ethyl]ethanamine
CID 63855986
2-(3-methoxypropylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63856712
Ethyl (3-propylthio)propylamine
CID 15066865
1-(1-Propylsulfanylpropylamino)ethanol
CID 23342153
2-(3-Propylsulfanylpropylamino)ethanol
CID 54036239
3-Ethoxycarbothioylsulfanylpropyl(dimethyl)azanium
CID 58599036
N-(2-propylsulfanylethyl)propan-1-amine
CID 61385649
N-[2-(2-methoxyethylsulfanyl)ethyl]propan-2-amine
CID 61385843

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine (CID 63857945) is N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine is CCCNCCSCCCOC.
What is the InChIKey of N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
The InChIKey is KSYWYIBJYQNANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOS/c1-3-5-10-6-9-12-8-4-7-11-2/h10H,3-9H2,1-2H3.
What are the key properties of N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine?
N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine has a molecular weight of 191.34 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylsulfanyl)ethyl]propan-1-amine is sourced from PubChem (CID 63857945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).