N-hept-6-enyl-2-(methanesulfonamido)acetamide

C10H20N2O3S — CID 146374350

IUPACN-hept-6-enyl-2-(methanesulfonamido)acetamide
SMILESC=CCCCCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-4-5-6-7-8-11-10(13)9-12-16(2,14)15/h3,12H,1,4-9H2,2H3,(H,11,13)
InChIKeyFZFAJKJAOIGRIS-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.40
Rot. Bonds9

About N-hept-6-enyl-2-(methanesulfonamido)acetamide

N-hept-6-enyl-2-(methanesulfonamido)acetamide (PubChem CID 146374350) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is N-hept-6-enyl-2-(methanesulfonamido)acetamide.

Molecular Properties

Compound NameN-hept-6-enyl-2-(methanesulfonamido)acetamide
PubChem CID146374350
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC NameN-hept-6-enyl-2-(methanesulfonamido)acetamide
SMILESC=CCCCCCNC(=O)CNS(C)(=O)=O
InChIInChI=1S/C10H20N2O3S/c1-3-4-5-6-7-8-11-10(13)9-12-16(2,14)15/h3,12H,1,4-9H2,2H3,(H,11,13)
InChIKeyFZFAJKJAOIGRIS-UHFFFAOYSA-N
XLogP0.40
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.40
H-Bond Donors ≤ 52
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

N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide
CID 123401544
N-but-3-enyl-2-(methanesulfonamido)acetamide
CID 146374339
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 30464358
N-cyclohex-2-en-1-yl-2-(methanesulfonamido)propanamide
CID 71971012
2-amino-N-(1-methylsulfonylpiperidin-4-yl)pent-4-enamide
CID 81773347
2-amino-N-[2-(methanesulfonamido)ethyl]pent-4-enamide
CID 81773595
N-[1-(2-aminopent-4-enoyl)piperidin-3-yl]methanesulfonamide
CID 81775044
N-[[1-(2-aminopent-4-enoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 81775391
2-amino-N-[3-[ethyl(methylsulfonyl)amino]propyl]pent-4-enamide
CID 81775496
2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]pent-4-enamide
CID 81776658
(2S)-N-[(1R)-cyclohex-2-en-1-yl]-2-(methanesulfonamido)propanamide
CID 97599087
(2R)-N-[(1R)-cyclohex-2-en-1-yl]-2-(methanesulfonamido)propanamide
CID 97599090

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-2-(methanesulfonamido)acetamide?
The IUPAC name of N-hept-6-enyl-2-(methanesulfonamido)acetamide (CID 146374350) is N-hept-6-enyl-2-(methanesulfonamido)acetamide.
What is the SMILES notation for N-hept-6-enyl-2-(methanesulfonamido)acetamide?
The canonical SMILES for N-hept-6-enyl-2-(methanesulfonamido)acetamide is C=CCCCCCNC(=O)CNS(C)(=O)=O.
What is the InChIKey of N-hept-6-enyl-2-(methanesulfonamido)acetamide?
The InChIKey is FZFAJKJAOIGRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-3-4-5-6-7-8-11-10(13)9-12-16(2,14)15/h3,12H,1,4-9H2,2H3,(H,11,13).
What are the key properties of N-hept-6-enyl-2-(methanesulfonamido)acetamide?
N-hept-6-enyl-2-(methanesulfonamido)acetamide has a molecular weight of 248.35 g/mol, XLogP of 0.40, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-2-(methanesulfonamido)acetamide is sourced from PubChem (CID 146374350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).