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

C10H21NO2S — CID 105039511

IUPACN-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
SMILESC=C(C)CCC(CS(C)(=O)=O)NCC
InChIInChI=1S/C10H21NO2S/c1-5-11-10(7-6-9(2)3)8-14(4,12)13/h10-11H,2,5-8H2,1,3-4H3
InChIKeyWSWIKFKDDWBIFV-UHFFFAOYSA-N
MW219.35 g/mol
LogP1.37
Rot. Bonds7

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

N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine (PubChem CID 105039511) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
PubChem CID105039511
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC NameN-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine
SMILESC=C(C)CCC(CS(C)(=O)=O)NCC
InChIInChI=1S/C10H21NO2S/c1-5-11-10(7-6-9(2)3)8-14(4,12)13/h10-11H,2,5-8H2,1,3-4H3
InChIKeyWSWIKFKDDWBIFV-UHFFFAOYSA-N
XLogP1.37
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.37
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-1-methylsulfonylhex-5-en-2-amine
CID 115631216
N-ethyl-1-methoxy-6-methylhept-6-en-3-amine
CID 114474356
N-ethyl-6-methyl-1-methylsulfanylhept-6-en-3-amine
CID 105182606
1-cycloheptyl-N-ethyl-5-methylhex-5-en-2-amine
CID 105039575
N,2,6-trimethyl-2-methylsulfonylhept-6-en-3-amine
CID 105039485
N-ethyl-2-methoxy-6-methylhept-6-en-3-amine
CID 114475383
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
1-(2-bromophenyl)-N-ethyl-5-methylhex-5-en-2-amine
CID 114474584
N-ethyl-1-methylsulfonylnonan-4-amine
CID 115820293
N-ethyl-6-methyl-1-pyridin-2-ylhept-6-en-3-amine
CID 105182655
1-(3,5-difluorophenyl)-N-ethyl-3-methylsulfonylpropan-2-amine
CID 105412463
6,6-dimethyl-1-methylsulfonyl-N-propylheptan-2-amine
CID 114211104

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine?
The IUPAC name of N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine (CID 105039511) is N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine.
What is the SMILES notation for N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine?
The canonical SMILES for N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine is C=C(C)CCC(CS(C)(=O)=O)NCC.
What is the InChIKey of N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine?
The InChIKey is WSWIKFKDDWBIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-11-10(7-6-9(2)3)8-14(4,12)13/h10-11H,2,5-8H2,1,3-4H3.
What are the key properties of N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine?
N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine has a molecular weight of 219.35 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-1-methylsulfonylhex-5-en-2-amine is sourced from PubChem (CID 105039511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).