[(1R)-1-(sulfamoylamino)ethyl]cycloheptane

C9H20N2O2S — CID 103935971

IUPAC[(1R)-1-(sulfamoylamino)ethyl]cycloheptane
SMILESC[C@@H](NS(N)(=O)=O)C1CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-8(11-14(10,12)13)9-6-4-2-3-5-7-9/h8-9,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1
InChIKeyCPPSYJBUVJDKKD-MRVPVSSYSA-N
MW220.34 g/mol
LogP1.14
Rot. Bonds3

About [(1R)-1-(sulfamoylamino)ethyl]cycloheptane

[(1R)-1-(sulfamoylamino)ethyl]cycloheptane (PubChem CID 103935971) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is [(1R)-1-(sulfamoylamino)ethyl]cycloheptane.

Molecular Properties

Compound Name[(1R)-1-(sulfamoylamino)ethyl]cycloheptane
PubChem CID103935971
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name[(1R)-1-(sulfamoylamino)ethyl]cycloheptane
SMILESC[C@@H](NS(N)(=O)=O)C1CCCCCC1
InChIInChI=1S/C9H20N2O2S/c1-8(11-14(10,12)13)9-6-4-2-3-5-7-9/h8-9,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1
InChIKeyCPPSYJBUVJDKKD-MRVPVSSYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(9-Methyldecyl)sulfamate
CID 24796784
(8-Methylnonyl)sulfamate
CID 24796786
(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
CID 18710131
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 [(1R)-1-(sulfamoylamino)ethyl]cycloheptane?
The IUPAC name of [(1R)-1-(sulfamoylamino)ethyl]cycloheptane (CID 103935971) is [(1R)-1-(sulfamoylamino)ethyl]cycloheptane.
What is the SMILES notation for [(1R)-1-(sulfamoylamino)ethyl]cycloheptane?
The canonical SMILES for [(1R)-1-(sulfamoylamino)ethyl]cycloheptane is C[C@@H](NS(N)(=O)=O)C1CCCCCC1.
What is the InChIKey of [(1R)-1-(sulfamoylamino)ethyl]cycloheptane?
The InChIKey is CPPSYJBUVJDKKD-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-8(11-14(10,12)13)9-6-4-2-3-5-7-9/h8-9,11H,2-7H2,1H3,(H2,10,12,13)/t8-/m1/s1.
What are the key properties of [(1R)-1-(sulfamoylamino)ethyl]cycloheptane?
[(1R)-1-(sulfamoylamino)ethyl]cycloheptane has a molecular weight of 220.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(sulfamoylamino)ethyl]cycloheptane is sourced from PubChem (CID 103935971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).