N-(2-methylidenepent-3-enyl)butane-2-sulfonamide

C10H19NO2S — CID 123409379

IUPACN-(2-methylidenepent-3-enyl)butane-2-sulfonamide
SMILESC=C(C=CC)CNS(=O)(=O)C(C)CC
InChIInChI=1S/C10H19NO2S/c1-5-7-9(3)8-11-14(12,13)10(4)6-2/h5,7,10-11H,3,6,8H2,1-2,4H3
InChIKeyIMRWOURKGAMFIN-UHFFFAOYSA-N
MW217.33 g/mol
LogP1.84
Rot. Bonds6

About N-(2-methylidenepent-3-enyl)butane-2-sulfonamide

N-(2-methylidenepent-3-enyl)butane-2-sulfonamide (PubChem CID 123409379) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is N-(2-methylidenepent-3-enyl)butane-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methylidenepent-3-enyl)butane-2-sulfonamide
PubChem CID123409379
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC NameN-(2-methylidenepent-3-enyl)butane-2-sulfonamide
SMILESC=C(C=CC)CNS(=O)(=O)C(C)CC
InChIInChI=1S/C10H19NO2S/c1-5-7-9(3)8-11-14(12,13)10(4)6-2/h5,7,10-11H,3,6,8H2,1-2,4H3
InChIKeyIMRWOURKGAMFIN-UHFFFAOYSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-2,7-octadienyl-n-butanesulfonamide
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2-methyl-N-[(S)-phenyl(tributylstannyl)methyl]propane-2-sulfonamide;yttrium
CID 134839943
N-(5-methylhex-4-enyl)butane-1-sulfonamide
CID 138967449
(2Z,4Z)-N-[(1R)-1-(4-fluorocyclohepta-1,3,6-trien-1-yl)ethyl]hepta-2,4,6-triene-1-sulfonamide
CID 142953292
N-[(3Z,5Z)-3-(fluoromethyl)octa-3,5-dienyl]ethanesulfonamide
CID 143860161
Cyclohepta-2,4,6-trienesulfonic acid, methylamide
CID 563175
N-[(4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 21034842
(1-ethylsulfonyl-2H-pyridin-5-yl)methanamine
CID 22663555
N-[(3S,4E)-4-methylhepta-4,6-dien-3-yl]butane-1-sulfonamide
CID 58597073
(4-Methylsulfonylcyclohexa-1,5-dien-1-yl)methanamine
CID 67989460
4-methyl-N-propylcyclohexa-2,4-diene-1-sulfonamide
CID 68052803
N-butylcyclohexa-2,4-diene-1-sulfonamide
CID 69775508

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenepent-3-enyl)butane-2-sulfonamide?
The IUPAC name of N-(2-methylidenepent-3-enyl)butane-2-sulfonamide (CID 123409379) is N-(2-methylidenepent-3-enyl)butane-2-sulfonamide.
What is the SMILES notation for N-(2-methylidenepent-3-enyl)butane-2-sulfonamide?
The canonical SMILES for N-(2-methylidenepent-3-enyl)butane-2-sulfonamide is C=C(C=CC)CNS(=O)(=O)C(C)CC.
What is the InChIKey of N-(2-methylidenepent-3-enyl)butane-2-sulfonamide?
The InChIKey is IMRWOURKGAMFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-5-7-9(3)8-11-14(12,13)10(4)6-2/h5,7,10-11H,3,6,8H2,1-2,4H3.
What are the key properties of N-(2-methylidenepent-3-enyl)butane-2-sulfonamide?
N-(2-methylidenepent-3-enyl)butane-2-sulfonamide has a molecular weight of 217.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenepent-3-enyl)butane-2-sulfonamide is sourced from PubChem (CID 123409379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).