N-ethyl-1-methylsulfonylhex-5-en-2-amine

C9H19NO2S — CID 115631216

IUPACN-ethyl-1-methylsulfonylhex-5-en-2-amine
SMILESC=CCCC(CS(C)(=O)=O)NCC
InChIInChI=1S/C9H19NO2S/c1-4-6-7-9(10-5-2)8-13(3,11)12/h4,9-10H,1,5-8H2,2-3H3
InChIKeyWNDGWTWBQAAKCT-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.98
Rot. Bonds7

About N-ethyl-1-methylsulfonylhex-5-en-2-amine

N-ethyl-1-methylsulfonylhex-5-en-2-amine (PubChem CID 115631216) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-ethyl-1-methylsulfonylhex-5-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methylsulfonylhex-5-en-2-amine
PubChem CID115631216
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-ethyl-1-methylsulfonylhex-5-en-2-amine
SMILESC=CCCC(CS(C)(=O)=O)NCC
InChIInChI=1S/C9H19NO2S/c1-4-6-7-9(10-5-2)8-13(3,11)12/h4,9-10H,1,5-8H2,2-3H3
InChIKeyWNDGWTWBQAAKCT-UHFFFAOYSA-N
XLogP0.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
CID 105039511
N-ethyl-2-methyl-2-methylsulfonylhept-6-en-3-amine
CID 104987354
N-ethyltridec-1-en-5-amine
CID 104987742
N-ethyl-7-methylnon-1-en-5-amine
CID 104987440
N-(1-ethylsulfonylpropan-2-yl)hept-6-en-3-amine
CID 115889877
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148561
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
1-ethoxy-N-ethylnon-8-en-2-amine
CID 107009273
1-tert-butylsulfanyl-N-ethylhept-6-en-2-amine
CID 65133114
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
N-ethyl-1-methylsulfonyldodecan-4-amine
CID 115820985

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methylsulfonylhex-5-en-2-amine?
The IUPAC name of N-ethyl-1-methylsulfonylhex-5-en-2-amine (CID 115631216) is N-ethyl-1-methylsulfonylhex-5-en-2-amine.
What is the SMILES notation for N-ethyl-1-methylsulfonylhex-5-en-2-amine?
The canonical SMILES for N-ethyl-1-methylsulfonylhex-5-en-2-amine is C=CCCC(CS(C)(=O)=O)NCC.
What is the InChIKey of N-ethyl-1-methylsulfonylhex-5-en-2-amine?
The InChIKey is WNDGWTWBQAAKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-4-6-7-9(10-5-2)8-13(3,11)12/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-ethyl-1-methylsulfonylhex-5-en-2-amine?
N-ethyl-1-methylsulfonylhex-5-en-2-amine has a molecular weight of 205.32 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methylsulfonylhex-5-en-2-amine is sourced from PubChem (CID 115631216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).