N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine

C14H32N2S2 — CID 130411545

IUPACN-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)SC(C)SN(CCC)CCC
InChIInChI=1S/C14H32N2S2/c1-6-10-15(11-7-2)17-14(5)18-16(12-8-3)13-9-4/h14H,6-13H2,1-5H3
InChIKeyHFHWTKHLNVCUED-UHFFFAOYSA-N
MW292.56 g/mol
LogP4.87
Rot. Bonds12

About N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine

N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine (PubChem CID 130411545) has the molecular formula C14H32N2S2 and a molecular weight of 292.56 g/mol. Its IUPAC name is N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
PubChem CID130411545
Molecular FormulaC14H32N2S2
Molecular Weight292.56 g/mol
Exact Mass292.20
IUPAC NameN-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)SC(C)SN(CCC)CCC
InChIInChI=1S/C14H32N2S2/c1-6-10-15(11-7-2)17-14(5)18-16(12-8-3)13-9-4/h14H,6-13H2,1-5H3
InChIKeyHFHWTKHLNVCUED-UHFFFAOYSA-N
XLogP4.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[methyl(propan-2-yl)silyl]ethyl]-N-methylsulfanylpropan-1-amine
CID 174011981
N-butan-2-yl-N-[1-[di(butan-2-yl)amino]sulfanylethylsulfanyl]butan-2-amine
CID 130248140
N,N-dipropylbutan-2-amine
CID 524229
1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 141222296
N-ethyl-N-propylsulfanylpropan-1-amine
CID 19873162
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
N,N-dipropylbutan-2-amine;ethane;propane
CID 143577846
(E)-N,N-dipropylpent-3-en-2-amine
CID 121218071
[2-methylpropyl(propyl)amino]methanol
CID 54162178
methane;2-methylbutane;N-methyl-N-propylpropan-1-amine
CID 143703435
1-(diethylaminosulfanyl)ethanethiol
CID 130247026
N,N-dipropylpent-3-en-2-amine;hydrochloride
CID 155653024

Frequently Asked Questions

What is the IUPAC name of N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine?
The IUPAC name of N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine (CID 130411545) is N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine is CCCN(CCC)SC(C)SN(CCC)CCC.
What is the InChIKey of N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine?
The InChIKey is HFHWTKHLNVCUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2S2/c1-6-10-15(11-7-2)17-14(5)18-16(12-8-3)13-9-4/h14H,6-13H2,1-5H3.
What are the key properties of N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine?
N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine has a molecular weight of 292.56 g/mol, XLogP of 4.87, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dipropylamino)sulfanylethylsulfanyl]-N-propylpropan-1-amine is sourced from PubChem (CID 130411545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).