1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine

C10H23NS2 — CID 22450282

IUPAC1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine
SMILESCCCSC(C)NC(C)SCCC
InChIInChI=1S/C10H23NS2/c1-5-7-12-9(3)11-10(4)13-8-6-2/h9-11H,5-8H2,1-4H3
InChIKeyURPZJZOXDNKXRS-UHFFFAOYSA-N
MW221.43 g/mol
LogP3.55
Rot. Bonds8

About 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine

1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine (PubChem CID 22450282) has the molecular formula C10H23NS2 and a molecular weight of 221.43 g/mol. Its IUPAC name is 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine
PubChem CID22450282
Molecular FormulaC10H23NS2
Molecular Weight221.43 g/mol
Exact Mass221.13
IUPAC Name1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine
SMILESCCCSC(C)NC(C)SCCC
InChIInChI=1S/C10H23NS2/c1-5-7-12-9(3)11-10(4)13-8-6-2/h9-11H,5-8H2,1-4H3
InChIKeyURPZJZOXDNKXRS-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1-propylsulfanylethylamino)ethanol
CID 23342181
1-(1-chloroethylsulfanyl)propane
CID 13227161
N-methyl-3-propylsulfanylbutan-1-amine
CID 154950911
3-methyl-2-propylsulfanylbutanoic acid
CID 43188406
1-propylsulfanylbutan-1-ol
CID 150335273
3-propylsulfanylbutanehydrazide
CID 63582677
2,2-dimethyl-1-propylsulfanylpropane-1-thiol
CID 173064333
2-(propylsulfanylmethylsulfanyl)butane
CID 525451
N-(1-decylsulfanylethyl)aniline
CID 15420315
N-(2,2-dimethylpropyl)-3-propylsulfanylbutanamide
CID 88943998
bis(propylsulfanyl)silane
CID 154016187
2-propylsulfanyloctan-4-one
CID 88902639

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine?
The IUPAC name of 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine (CID 22450282) is 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine?
The canonical SMILES for 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine is CCCSC(C)NC(C)SCCC.
What is the InChIKey of 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine?
The InChIKey is URPZJZOXDNKXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NS2/c1-5-7-12-9(3)11-10(4)13-8-6-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine?
1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine has a molecular weight of 221.43 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfanyl-N-(1-propylsulfanylethyl)ethanamine is sourced from PubChem (CID 22450282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).