1-methyl-4-(sulfamoylamino)cycloheptane

C8H18N2O2S — CID 102794992

IUPAC1-methyl-4-(sulfamoylamino)cycloheptane
SMILESCC1CCCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-3-2-4-8(6-5-7)10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyXAAJEIOAUQHVIZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.75
Rot. Bonds2

About 1-methyl-4-(sulfamoylamino)cycloheptane

1-methyl-4-(sulfamoylamino)cycloheptane (PubChem CID 102794992) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-methyl-4-(sulfamoylamino)cycloheptane.

Molecular Properties

Compound Name1-methyl-4-(sulfamoylamino)cycloheptane
PubChem CID102794992
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-(sulfamoylamino)cycloheptane
SMILESCC1CCCC(NS(N)(=O)=O)CC1
InChIInChI=1S/C8H18N2O2S/c1-7-3-2-4-8(6-5-7)10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12)
InChIKeyXAAJEIOAUQHVIZ-UHFFFAOYSA-N
XLogP0.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9-Methyldecyl)sulfamate
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(8-Methylnonyl)sulfamate
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(7-Methyloctyl)sulfamate
CID 24796788
N-[(3S)-3-ethylcycloheptyl]-2-methylpropane-2-sulfonamide
CID 134966542
N-(2-cycloheptylethyl)methanesulfonamide
CID 17617094
3,6-Di(propan-2-yl)-1,2,7-thiadiazepane 1,1-dioxide
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N-(6-ethyloctan-2-yl)methanesulfonamide
CID 23573810
N-(3-cycloheptylpropyl)methanesulfonamide
CID 54015622
4-Methyl-3-(sulfinatoamino)heptane
CID 57421727
2-Methyl-6-(sulfinatoamino)heptane
CID 57421729
4-[(Sulfinatoamino)methyl]nonane
CID 57421731
3,7-Dimethyl-1-(sulfinatoamino)octane
CID 57421747

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(sulfamoylamino)cycloheptane?
The IUPAC name of 1-methyl-4-(sulfamoylamino)cycloheptane (CID 102794992) is 1-methyl-4-(sulfamoylamino)cycloheptane.
What is the SMILES notation for 1-methyl-4-(sulfamoylamino)cycloheptane?
The canonical SMILES for 1-methyl-4-(sulfamoylamino)cycloheptane is CC1CCCC(NS(N)(=O)=O)CC1.
What is the InChIKey of 1-methyl-4-(sulfamoylamino)cycloheptane?
The InChIKey is XAAJEIOAUQHVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c1-7-3-2-4-8(6-5-7)10-13(9,11)12/h7-8,10H,2-6H2,1H3,(H2,9,11,12).
What are the key properties of 1-methyl-4-(sulfamoylamino)cycloheptane?
1-methyl-4-(sulfamoylamino)cycloheptane has a molecular weight of 206.31 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(sulfamoylamino)cycloheptane is sourced from PubChem (CID 102794992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).