N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine

C10H21NS3 — CID 11172780

IUPACN,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine
SMILESCCN(CC)CC(SC)=C(SC)SC
InChIInChI=1S/C10H21NS3/c1-6-11(7-2)8-9(12-3)10(13-4)14-5/h6-8H2,1-5H3
InChIKeyRFUQFAIDMXPABF-UHFFFAOYSA-N
MW251.49 g/mol
LogP3.59
Rot. Bonds7

About N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine

N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine (PubChem CID 11172780) has the molecular formula C10H21NS3 and a molecular weight of 251.49 g/mol. Its IUPAC name is N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine
PubChem CID11172780
Molecular FormulaC10H21NS3
Molecular Weight251.49 g/mol
Exact Mass251.08
IUPAC NameN,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine
SMILESCCN(CC)CC(SC)=C(SC)SC
InChIInChI=1S/C10H21NS3/c1-6-11(7-2)8-9(12-3)10(13-4)14-5/h6-8H2,1-5H3
InChIKeyRFUQFAIDMXPABF-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-bis(ethylsulfanyl)prop-2-enyl]-N-butylbutan-1-amine
CID 10880776
N,N-diethyl-3,3-bis(ethylsulfanyl)prop-2-en-1-amine
CID 10911463
3,3-bis(ethylsulfanyl)-N,N-dimethylprop-2-en-1-amine
CID 10965650
3,3-bis(ethylsulfanyl)-N,N-bis(prop-2-enyl)prop-2-en-1-amine
CID 11032546

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine?
The IUPAC name of N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine (CID 11172780) is N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine.
What is the SMILES notation for N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine?
The canonical SMILES for N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine is CCN(CC)CC(SC)=C(SC)SC.
What is the InChIKey of N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine?
The InChIKey is RFUQFAIDMXPABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS3/c1-6-11(7-2)8-9(12-3)10(13-4)14-5/h6-8H2,1-5H3.
What are the key properties of N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine?
N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine has a molecular weight of 251.49 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,3-tris(methylsulfanyl)prop-2-en-1-amine is sourced from PubChem (CID 11172780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).