1,3-bis(dimethylamino)propane-2-thiol

C7H18N2S — CID 13474082

IUPAC1,3-bis(dimethylamino)propane-2-thiol
SMILESCN(C)CC(S)CN(C)C
InChIInChI=1S/C7H18N2S/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3
InChIKeyLWOVXABTPFAHBJ-UHFFFAOYSA-N
MW162.30 g/mol
LogP0.41
Rot. Bonds4

About 1,3-bis(dimethylamino)propane-2-thiol

1,3-bis(dimethylamino)propane-2-thiol (PubChem CID 13474082) has the molecular formula C7H18N2S and a molecular weight of 162.30 g/mol. Its IUPAC name is 1,3-bis(dimethylamino)propane-2-thiol.

Molecular Properties

Compound Name1,3-bis(dimethylamino)propane-2-thiol
PubChem CID13474082
Molecular FormulaC7H18N2S
Molecular Weight162.30 g/mol
Exact Mass162.12
IUPAC Name1,3-bis(dimethylamino)propane-2-thiol
SMILESCN(C)CC(S)CN(C)C
InChIInChI=1S/C7H18N2S/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3
InChIKeyLWOVXABTPFAHBJ-UHFFFAOYSA-N
XLogP0.41
TPSA6.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(dimethylamino)methyl]-N,N,N',N'-tetramethylpropane-1,3-diamine
CID 547455
(2R)-1-(dimethylamino)-3-sulfanylpropan-2-ol
CID 164542247
CID 21287725
CID 21287725
cerium(4+);bis((2S)-1-(dimethylamino)propan-2-olate);bis((2R)-1-(dimethylamino)propan-2-olate)
CID 139136402
1-N,1-N-dimethylpropane-1,2-diamine;dihydrochloride
CID 22731000
N',N'-dimethyl-2-sulfanyloxypropane-1,3-diamine
CID 155704419
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
2-chloro-N,N-dimethylpropan-1-amine;hydron;chloride
CID 74765572
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N,N,2,4-tetramethylpentan-1-amine
CID 58758115

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(dimethylamino)propane-2-thiol?
The IUPAC name of 1,3-bis(dimethylamino)propane-2-thiol (CID 13474082) is 1,3-bis(dimethylamino)propane-2-thiol.
What is the SMILES notation for 1,3-bis(dimethylamino)propane-2-thiol?
The canonical SMILES for 1,3-bis(dimethylamino)propane-2-thiol is CN(C)CC(S)CN(C)C.
What is the InChIKey of 1,3-bis(dimethylamino)propane-2-thiol?
The InChIKey is LWOVXABTPFAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2S/c1-8(2)5-7(10)6-9(3)4/h7,10H,5-6H2,1-4H3.
What are the key properties of 1,3-bis(dimethylamino)propane-2-thiol?
1,3-bis(dimethylamino)propane-2-thiol has a molecular weight of 162.30 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(dimethylamino)propane-2-thiol is sourced from PubChem (CID 13474082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).