3-(dipropylamino)propane-1-thiol

C9H21NS — CID 19031572

IUPAC3-(dipropylamino)propane-1-thiol
SMILESCCCN(CCC)CCCS
InChIInChI=1S/C9H21NS/c1-3-6-10(7-4-2)8-5-9-11/h11H,3-9H2,1-2H3
InChIKeyGCIQRAUWUUWZES-UHFFFAOYSA-N
MW175.34 g/mol
LogP2.43
Rot. Bonds7

About 3-(dipropylamino)propane-1-thiol

3-(dipropylamino)propane-1-thiol (PubChem CID 19031572) has the molecular formula C9H21NS and a molecular weight of 175.34 g/mol. Its IUPAC name is 3-(dipropylamino)propane-1-thiol.

Molecular Properties

Compound Name3-(dipropylamino)propane-1-thiol
PubChem CID19031572
Molecular FormulaC9H21NS
Molecular Weight175.34 g/mol
Exact Mass175.14
IUPAC Name3-(dipropylamino)propane-1-thiol
SMILESCCCN(CCC)CCCS
InChIInChI=1S/C9H21NS/c1-3-6-10(7-4-2)8-5-9-11/h11H,3-9H2,1-2H3
InChIKeyGCIQRAUWUUWZES-UHFFFAOYSA-N
XLogP2.43
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-[ethyl(propyl)amino]butane-1-thiol
CID 23362339
4-[hexyl(pentyl)amino]butane-1-thiol
CID 23362522
N,N-dimethyl-N',N'-dipropylpropane-1,3-diamine
CID 89150859
N,N-dipropylbutan-1-amine;hydrofluoride
CID 19783533
N,N-dipropylpropan-1-amine;propane
CID 174574210
Tripropylamineborane
CID 21315686
N,N-dipropylpropan-1-amine;pentahydrochloride
CID 172789957
N-dodecyl-N-propylpentadecan-1-amine;tridecane
CID 177194050
3-fluoro-N,N-dipropylpropan-1-amine
CID 87847848
3-[bis(3-sulfanylpropyl)amino]propan-1-ol
CID 87063697
sodium;N,N-dipropylpropan-1-amine;chloride
CID 175189857
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075

Frequently Asked Questions

What is the IUPAC name of 3-(dipropylamino)propane-1-thiol?
The IUPAC name of 3-(dipropylamino)propane-1-thiol (CID 19031572) is 3-(dipropylamino)propane-1-thiol.
What is the SMILES notation for 3-(dipropylamino)propane-1-thiol?
The canonical SMILES for 3-(dipropylamino)propane-1-thiol is CCCN(CCC)CCCS.
What is the InChIKey of 3-(dipropylamino)propane-1-thiol?
The InChIKey is GCIQRAUWUUWZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NS/c1-3-6-10(7-4-2)8-5-9-11/h11H,3-9H2,1-2H3.
What are the key properties of 3-(dipropylamino)propane-1-thiol?
3-(dipropylamino)propane-1-thiol has a molecular weight of 175.34 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dipropylamino)propane-1-thiol is sourced from PubChem (CID 19031572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).