N,N-dimethylheptane-1-sulfonamide

C9H21NO2S — CID 118391256

IUPACN,N-dimethylheptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21NO2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h4-9H2,1-3H3
InChIKeyKMHVGABZFVLQEU-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.85
Rot. Bonds7

About N,N-dimethylheptane-1-sulfonamide

N,N-dimethylheptane-1-sulfonamide (PubChem CID 118391256) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N,N-dimethylheptane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylheptane-1-sulfonamide
PubChem CID118391256
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN,N-dimethylheptane-1-sulfonamide
SMILESCCCCCCCS(=O)(=O)N(C)C
InChIInChI=1S/C9H21NO2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h4-9H2,1-3H3
InChIKeyKMHVGABZFVLQEU-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butylsulfonyl-N-methylhexane-1-sulfonamide
CID 167138373
N-ethyl-N-methylheptane-1-sulfonamide
CID 131966885
N,N-diaminopentane-1-sulfonamide
CID 88729680
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
dimethylsulfamic acid;heptadecane
CID 173271446
N-butylsulfonyl-N-oxidopentane-1-sulfonamide
CID 163844134
N-ethyl-N-octyloctane-1-sulfonamide
CID 176689597
1-octylsulfonylnonane
CID 19089492
1-ethylsulfonylheptane
CID 19089519
N,N-dimethyl-2-(7-methyltridecan-7-ylamino)ethanesulfonamide
CID 130426482
triethyl-[2-[methyl(tetradecylsulfonyl)amino]ethyl]azanium
CID 73352537
1-(nonylsulfonylmethylsulfonyl)nonane
CID 139912693

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylheptane-1-sulfonamide?
The IUPAC name of N,N-dimethylheptane-1-sulfonamide (CID 118391256) is N,N-dimethylheptane-1-sulfonamide.
What is the SMILES notation for N,N-dimethylheptane-1-sulfonamide?
The canonical SMILES for N,N-dimethylheptane-1-sulfonamide is CCCCCCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethylheptane-1-sulfonamide?
The InChIKey is KMHVGABZFVLQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-5-6-7-8-9-13(11,12)10(2)3/h4-9H2,1-3H3.
What are the key properties of N,N-dimethylheptane-1-sulfonamide?
N,N-dimethylheptane-1-sulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylheptane-1-sulfonamide is sourced from PubChem (CID 118391256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).