(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide

C9H19NO2S — CID 118903407

IUPAC(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
SMILESC=CC[C@H](C)[C@@H](C(C)C)S(N)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-6-8(4)9(7(2)3)13(10,11)12/h5,7-9H,1,6H2,2-4H3,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyAFQTTWOWBXQKFE-DTWKUNHWSA-N
MW205.32 g/mol
LogP1.51
Rot. Bonds5

About (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide

(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide (PubChem CID 118903407) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide.

Molecular Properties

Compound Name(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
PubChem CID118903407
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide
SMILESC=CC[C@H](C)[C@@H](C(C)C)S(N)(=O)=O
InChIInChI=1S/C9H19NO2S/c1-5-6-8(4)9(7(2)3)13(10,11)12/h5,7-9H,1,6H2,2-4H3,(H2,10,11,12)/t8-,9+/m0/s1
InChIKeyAFQTTWOWBXQKFE-DTWKUNHWSA-N
XLogP1.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.51
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-methylhex-5-ene-3-sulfonamide
CID 130367234
(4R,5R)-5-methyloct-7-ene-4-sulfonamide
CID 118903706
(2S,3S)-1-methoxy-3-methylhex-5-ene-2-sulfonamide
CID 138668280
(2R,3S)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910244
(2R,3R)-1-cyclopropyl-3-methylhex-5-ene-2-sulfonamide
CID 118910236
(2S,3S)-1-ethoxy-3-methylhex-5-ene-2-sulfonamide
CID 130367305
(1R,2R)-1-cyclobutyl-2-methylpent-4-ene-1-sulfonamide
CID 118910299
(2R,3R)-3-hydroxyhex-5-ene-2-sulfonamide
CID 130367158
(2R,3R)-3-ethenylhex-5-ene-2-sulfonamide
CID 166830456
bis((3R)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide);bis((3S)-1-cyclobutyl-3-methylhex-5-ene-2-sulfonamide)
CID 158584641
hex-5-ene-3-sulfonamide
CID 118903567
3,4-dimethylhept-6-en-2-amine
CID 131966570

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide?
The IUPAC name of (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide (CID 118903407) is (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide.
What is the SMILES notation for (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide?
The canonical SMILES for (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide is C=CC[C@H](C)[C@@H](C(C)C)S(N)(=O)=O.
What is the InChIKey of (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide?
The InChIKey is AFQTTWOWBXQKFE-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-5-6-8(4)9(7(2)3)13(10,11)12/h5,7-9H,1,6H2,2-4H3,(H2,10,11,12)/t8-,9+/m0/s1.
What are the key properties of (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide?
(3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-2,4-dimethylhept-6-ene-3-sulfonamide is sourced from PubChem (CID 118903407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).