N,N-dimethyl-1-propylsulfanylethenamine

C7H15NS — CID 142051117

IUPACN,N-dimethyl-1-propylsulfanylethenamine
SMILESC=C(SCCC)N(C)C
InChIInChI=1S/C7H15NS/c1-5-6-9-7(2)8(3)4/h2,5-6H2,1,3-4H3
InChIKeyYNSRZSYNQQBRRV-UHFFFAOYSA-N
MW145.27 g/mol
LogP2.16
Rot. Bonds4

About N,N-dimethyl-1-propylsulfanylethenamine

N,N-dimethyl-1-propylsulfanylethenamine (PubChem CID 142051117) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,N-dimethyl-1-propylsulfanylethenamine.

Molecular Properties

Compound NameN,N-dimethyl-1-propylsulfanylethenamine
PubChem CID142051117
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethyl-1-propylsulfanylethenamine
SMILESC=C(SCCC)N(C)C
InChIInChI=1S/C7H15NS/c1-5-6-9-7(2)8(3)4/h2,5-6H2,1,3-4H3
InChIKeyYNSRZSYNQQBRRV-UHFFFAOYSA-N
XLogP2.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethenamine, N,N-dimethyl-1-(methylthio)-
CID 141150
(E)-N,N-dimethyl-1,2-bis(methylsulfanyl)ethenamine
CID 134923137
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
3-Methyl-2-methylidene-1,3-thiazinane
CID 59164986
1-ethylsulfanyl-N,N-dimethylethenamine
CID 102249013
1-(1-butylthiiran-1-yl)-N,N-dimethylethenamine
CID 123743121
1-(1-Butylthiiran-1-yl)ethenyl-trimethylazanium
CID 123806529
1-but-2-ynylsulfanyl-N,N-dimethylethenamine
CID 126607413
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758
N-ethyl-N-methyl-1-propylsulfanylethenamine
CID 142050793
N,N-dimethyl-1-propan-2-ylsulfanylethenamine
CID 146200561
2-ethyl-3-methyl-2H-1,3-thiazole
CID 154205411

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-propylsulfanylethenamine?
The IUPAC name of N,N-dimethyl-1-propylsulfanylethenamine (CID 142051117) is N,N-dimethyl-1-propylsulfanylethenamine.
What is the SMILES notation for N,N-dimethyl-1-propylsulfanylethenamine?
The canonical SMILES for N,N-dimethyl-1-propylsulfanylethenamine is C=C(SCCC)N(C)C.
What is the InChIKey of N,N-dimethyl-1-propylsulfanylethenamine?
The InChIKey is YNSRZSYNQQBRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-5-6-9-7(2)8(3)4/h2,5-6H2,1,3-4H3.
What are the key properties of N,N-dimethyl-1-propylsulfanylethenamine?
N,N-dimethyl-1-propylsulfanylethenamine has a molecular weight of 145.27 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-propylsulfanylethenamine is sourced from PubChem (CID 142051117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).