[1-(aminomethyl)cyclohexyl]methanesulfonamide

C8H18N2O2S — CID 10465589

IUPAC[1-(aminomethyl)cyclohexyl]methanesulfonamide
SMILESNCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C8H18N2O2S/c9-6-8(7-13(10,11)12)4-2-1-3-5-8/h1-7,9H2,(H2,10,11,12)
InChIKeyGTSLDHDWPQDRMR-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.18
Rot. Bonds3

About [1-(aminomethyl)cyclohexyl]methanesulfonamide

[1-(aminomethyl)cyclohexyl]methanesulfonamide (PubChem CID 10465589) has the molecular formula C8H18N2O2S and a molecular weight of 206.31 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanesulfonamide
PubChem CID10465589
Molecular FormulaC8H18N2O2S
Molecular Weight206.31 g/mol
Exact Mass206.11
IUPAC Name[1-(aminomethyl)cyclohexyl]methanesulfonamide
SMILESNCC1(CS(N)(=O)=O)CCCCC1
InChIInChI=1S/C8H18N2O2S/c9-6-8(7-13(10,11)12)4-2-1-3-5-8/h1-7,9H2,(H2,10,11,12)
InChIKeyGTSLDHDWPQDRMR-UHFFFAOYSA-N
XLogP0.18
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

CID 10465622
CID 10465622
CID 44410496
CID 44410496
CID 103970342
CID 103970342
CID 165564840
CID 165564840
CID 165565850
CID 165565850
CID 19684283
CID 19684283
CID 6466313
CID 6466313
CID 9881146
CID 9881146
CID 10036422
CID 10036422
CID 10082240
CID 10082240
CID 17826882
CID 17826882
CID 17826890
CID 17826890

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanesulfonamide (CID 10465589) is [1-(aminomethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanesulfonamide is NCC1(CS(N)(=O)=O)CCCCC1.
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanesulfonamide?
The InChIKey is GTSLDHDWPQDRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S/c9-6-8(7-13(10,11)12)4-2-1-3-5-8/h1-7,9H2,(H2,10,11,12).
What are the key properties of [1-(aminomethyl)cyclohexyl]methanesulfonamide?
[1-(aminomethyl)cyclohexyl]methanesulfonamide has a molecular weight of 206.31 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 10465589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).