N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen

C11H25NO3S — CID 167519984

IUPACN-(6-methylheptylsulfonyl)propanamide;molecular hydrogen
SMILESCCC(=O)NS(=O)(=O)CCCCCC(C)C.[H][H]
InChIInChI=1S/C11H23NO3S.H2/c1-4-11(13)12-16(14,15)9-7-5-6-8-10(2)3;/h10H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyRGEFYJXEQQBCRF-UHFFFAOYSA-N
MW251.39 g/mol
LogP2.30
Rot. Bonds8

About N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen

N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen (PubChem CID 167519984) has the molecular formula C11H25NO3S and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(6-methylheptylsulfonyl)propanamide;molecular hydrogen
PubChem CID167519984
Molecular FormulaC11H25NO3S
Molecular Weight251.39 g/mol
Exact Mass251.16
IUPAC NameN-(6-methylheptylsulfonyl)propanamide;molecular hydrogen
SMILESCCC(=O)NS(=O)(=O)CCCCCC(C)C.[H][H]
InChIInChI=1S/C11H23NO3S.H2/c1-4-11(13)12-16(14,15)9-7-5-6-8-10(2)3;/h10H,4-9H2,1-3H3,(H,12,13);1H
InChIKeyRGEFYJXEQQBCRF-UHFFFAOYSA-N
XLogP2.30
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-ethoxyazetidin-1-yl)propylsulfonyl]propanamide
CID 167519573
11-methyl-N-(trifluoromethylsulfonyl)dodecane-1-sulfonamide
CID 158263815
N-pentylsulfonylundecanamide
CID 87719410
16-methylheptadecane-1-sulfonic acid
CID 19380804
N,7-dimethyloctanamide;molecular hydrogen
CID 164603110
N-(4-methylpentyl)propanamide
CID 54140551
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
N-butylsulfonylhexadecanamide
CID 58954596
18-(butylsulfonylamino)-18-oxooctadecanoic acid
CID 58954514
lithium 7-methyloctane-1-sulfonate
CID 122481716
N-nonylsulfonylacetamide
CID 87711188
7-methyl-N-(trifluoromethylsulfonyl)octanamide
CID 146494618

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen?
The IUPAC name of N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen (CID 167519984) is N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen.
What is the SMILES notation for N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen?
The canonical SMILES for N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen is CCC(=O)NS(=O)(=O)CCCCCC(C)C.[H][H].
What is the InChIKey of N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen?
The InChIKey is RGEFYJXEQQBCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S.H2/c1-4-11(13)12-16(14,15)9-7-5-6-8-10(2)3;/h10H,4-9H2,1-3H3,(H,12,13);1H.
What are the key properties of N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen?
N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen has a molecular weight of 251.39 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptylsulfonyl)propanamide;molecular hydrogen is sourced from PubChem (CID 167519984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).