N-(6-methylheptan-2-yl)methanesulfonamide

C9H21NO2S — CID 2916151

IUPACN-(6-methylheptan-2-yl)methanesulfonamide
SMILESCC(C)CCCC(C)NS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2)6-5-7-9(3)10-13(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyNVYUZNNDJWKTBQ-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.75
Rot. Bonds6

About N-(6-methylheptan-2-yl)methanesulfonamide

N-(6-methylheptan-2-yl)methanesulfonamide (PubChem CID 2916151) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-(6-methylheptan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(6-methylheptan-2-yl)methanesulfonamide
PubChem CID2916151
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-(6-methylheptan-2-yl)methanesulfonamide
SMILESCC(C)CCCC(C)NS(C)(=O)=O
InChIInChI=1S/C9H21NO2S/c1-8(2)6-5-7-9(3)10-13(4,11)12/h8-10H,5-7H2,1-4H3
InChIKeyNVYUZNNDJWKTBQ-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanesulfonamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 3025226
N-[(2S)-2-amino-4-methylpentyl]methanesulfonamide
CID 127043189
N-(cyclohexylmethyl)methanesulfonamide
CID 19684282
(3R,4S)-3-butyl-4-(2-methylpropyl)thiazetidine 1,1-dioxide
CID 101744742
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
N-(2-cyclohexylcyclopropyl)methanesulfonamide
CID 71997365
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
N-(6-fluoro-6-methylheptyl)methanesulfonamide
CID 91482416
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
CID 134966542
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-(2,4-dimethylpentan-3-yl)methanesulfonamide
CID 1280652
N-(4-methylpentyl)methanesulfonamide
CID 3330230

Frequently Asked Questions

What is the IUPAC name of N-(6-methylheptan-2-yl)methanesulfonamide?
The IUPAC name of N-(6-methylheptan-2-yl)methanesulfonamide (CID 2916151) is N-(6-methylheptan-2-yl)methanesulfonamide.
What is the SMILES notation for N-(6-methylheptan-2-yl)methanesulfonamide?
The canonical SMILES for N-(6-methylheptan-2-yl)methanesulfonamide is CC(C)CCCC(C)NS(C)(=O)=O.
What is the InChIKey of N-(6-methylheptan-2-yl)methanesulfonamide?
The InChIKey is NVYUZNNDJWKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)6-5-7-9(3)10-13(4,11)12/h8-10H,5-7H2,1-4H3.
What are the key properties of N-(6-methylheptan-2-yl)methanesulfonamide?
N-(6-methylheptan-2-yl)methanesulfonamide has a molecular weight of 207.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylheptan-2-yl)methanesulfonamide is sourced from PubChem (CID 2916151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).