(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine

C11H23NO2S — CID 106735097

IUPAC(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine
SMILESCNCC/C=C(/C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)15(13,14)9-7-11(3)6-5-8-12-4/h6,10,12H,5,7-9H2,1-4H3/b11-6-
InChIKeyBESQMBAVRAFFBH-WDZFZDKYSA-N
MW233.38 g/mol
LogP1.76
Rot. Bonds7

About (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine

(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine (PubChem CID 106735097) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine
PubChem CID106735097
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine
SMILESCNCC/C=C(/C)CCS(=O)(=O)C(C)C
InChIInChI=1S/C11H23NO2S/c1-10(2)15(13,14)9-7-11(3)6-5-8-12-4/h6,10,12H,5,7-9H2,1-4H3/b11-6-
InChIKeyBESQMBAVRAFFBH-WDZFZDKYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N,4,8-trimethylnon-3-en-1-amine
CID 83162608
N-ethyl-N',3-dimethylhex-3-ene-1,6-diamine
CID 91413458
(E)-N,4-dimethylhex-3-en-1-amine;ethane
CID 144566513
N-(2-methoxyethyl)-4-methyl-6-methylsulfonylhex-3-en-1-amine
CID 79607920
4-methyl-N-(2-methylpropyl)-7-methylsulfonylhept-3-en-1-amine
CID 79607990
N,4,6-trimethylnon-3-en-1-amine
CID 79599077
4-(methylamino)-1-propan-2-ylsulfonylpentan-3-one
CID 106736339
methyl 3-propan-2-ylsulfonylpropanoate
CID 60874578
N,4-dimethylhept-3-en-6-yn-1-amine
CID 79598050
4,4-dimethyl-1-propan-2-ylsulfonylpentan-3-one
CID 167554026
N-ethyl-4-methyl-7-methylsulfonylhept-3-en-1-amine
CID 79598076
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531

Frequently Asked Questions

What is the IUPAC name of (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine?
The IUPAC name of (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine (CID 106735097) is (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine.
What is the SMILES notation for (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine?
The canonical SMILES for (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine is CNCC/C=C(/C)CCS(=O)(=O)C(C)C.
What is the InChIKey of (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine?
The InChIKey is BESQMBAVRAFFBH-WDZFZDKYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10(2)15(13,14)9-7-11(3)6-5-8-12-4/h6,10,12H,5,7-9H2,1-4H3/b11-6-.
What are the key properties of (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine?
(Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethyl-6-propan-2-ylsulfonylhex-3-en-1-amine is sourced from PubChem (CID 106735097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).