N-ethyl-N-methyl-1-propylsulfanylethenamine

C8H17NS — CID 142050793

IUPACN-ethyl-N-methyl-1-propylsulfanylethenamine
SMILESC=C(SCCC)N(C)CC
InChIInChI=1S/C8H17NS/c1-5-7-10-8(3)9(4)6-2/h3,5-7H2,1-2,4H3
InChIKeyAOWVBTCEABWQFJ-UHFFFAOYSA-N
MW159.30 g/mol
LogP2.55
Rot. Bonds5

About N-ethyl-N-methyl-1-propylsulfanylethenamine

N-ethyl-N-methyl-1-propylsulfanylethenamine (PubChem CID 142050793) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is N-ethyl-N-methyl-1-propylsulfanylethenamine.

Molecular Properties

Compound NameN-ethyl-N-methyl-1-propylsulfanylethenamine
PubChem CID142050793
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC NameN-ethyl-N-methyl-1-propylsulfanylethenamine
SMILESC=C(SCCC)N(C)CC
InChIInChI=1S/C8H17NS/c1-5-7-10-8(3)9(4)6-2/h3,5-7H2,1-2,4H3
InChIKeyAOWVBTCEABWQFJ-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-N,N-diethyl-1,2-bis(methylsulfanyl)ethenamine
CID 13639643
1-butylsulfanyl-N,N-dimethylethenamine
CID 44720585
N-ethenyl-3-methylsulfanyl-N-propylpropan-1-amine
CID 89719133
N-(1-ethylsulfanylethenyl)-N-methylpropan-2-amine
CID 118346185
N-ethyl-N-(1-ethylsulfanylethenyl)butan-1-amine
CID 123138972
N-propan-2-yl-N-(1-propylsulfanylethenyl)propan-2-amine
CID 123347597
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
N-ethenyl-N-methyl-2-propan-2-ylsulfanylethanamine
CID 139381123
(1E)-N-ethyl-N-methyl-1-propylsulfanylbuta-1,3-dien-1-amine
CID 139381372
1-butylsulfanyl-N-ethyl-N-methylethenamine
CID 142050758

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-1-propylsulfanylethenamine?
The IUPAC name of N-ethyl-N-methyl-1-propylsulfanylethenamine (CID 142050793) is N-ethyl-N-methyl-1-propylsulfanylethenamine.
What is the SMILES notation for N-ethyl-N-methyl-1-propylsulfanylethenamine?
The canonical SMILES for N-ethyl-N-methyl-1-propylsulfanylethenamine is C=C(SCCC)N(C)CC.
What is the InChIKey of N-ethyl-N-methyl-1-propylsulfanylethenamine?
The InChIKey is AOWVBTCEABWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NS/c1-5-7-10-8(3)9(4)6-2/h3,5-7H2,1-2,4H3.
What are the key properties of N-ethyl-N-methyl-1-propylsulfanylethenamine?
N-ethyl-N-methyl-1-propylsulfanylethenamine has a molecular weight of 159.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-1-propylsulfanylethenamine is sourced from PubChem (CID 142050793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).