(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide

C10H21NO2S — CID 145359201

IUPAC(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
SMILESC=C[C@H](C)CC(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13)/t9-,10?/m0/s1
InChIKeyAFJIIKFVYOXHCE-RGURZIINSA-N
MW219.35 g/mol
LogP1.90
Rot. Bonds6

About (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide

(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide (PubChem CID 145359201) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide.

Molecular Properties

Compound Name(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
PubChem CID145359201
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide
SMILESC=C[C@H](C)CC(CC(C)C)S(N)(=O)=O
InChIInChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13)/t9-,10?/m0/s1
InChIKeyAFJIIKFVYOXHCE-RGURZIINSA-N
XLogP1.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyloct-7-ene-4-sulfonamide
CID 166665383
4-methylpentane-2-sulfonamide
CID 54354651
(2S,4R)-4-methoxyhex-5-ene-2-sulfonamide
CID 130367429
(3R)-5,5-difluoro-3-methylpent-1-ene
CID 137420018
hex-5-ene-3-sulfonamide
CID 118903567
(4R,6R)-2,6-dimethyloct-7-en-4-ol
CID 92953759
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
(1-amino-3-methylpent-4-enyl)boronic acid
CID 123194636
2-methylhex-5-ene-3-sulfonamide
CID 130367234
(3R)-3-amino-5-methylhept-6-en-2-one
CID 142093532
1,1,1-trifluoro-4-methylpentane-2-sulfonamide
CID 114827666
(2R)-2-amino-4-methylhex-5-enoic acid
CID 143398016

Frequently Asked Questions

What is the IUPAC name of (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide?
The IUPAC name of (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide (CID 145359201) is (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide.
What is the SMILES notation for (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide?
The canonical SMILES for (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide is C=C[C@H](C)CC(CC(C)C)S(N)(=O)=O.
What is the InChIKey of (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide?
The InChIKey is AFJIIKFVYOXHCE-RGURZIINSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-5-9(4)7-10(6-8(2)3)14(11,12)13/h5,8-10H,1,6-7H2,2-4H3,(H2,11,12,13)/t9-,10?/m0/s1.
What are the key properties of (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide?
(4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide has a molecular weight of 219.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-2,6-dimethyloct-7-ene-4-sulfonamide is sourced from PubChem (CID 145359201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).