N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

C12H24N2O3S — CID 63246375

IUPACN-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2
InChIKeyRTXYFCKYVAZWIM-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.75
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63246375) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63246375
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNCC1(NS(=O)(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2
InChIKeyRTXYFCKYVAZWIM-UHFFFAOYSA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-propan-2-yloxyethanesulfonamide
CID 79594262
N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanesulfonamide
CID 128583091
N-[(1-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55174512
N-(2-amino-4-methylpentyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174693
N-(2-amino-1-cyclohexylethyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55174883
N-[1-(aminomethyl)cyclohexyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55174884
N-[1-(aminomethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 61608659
N-[(1-aminocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 61608847
N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
CID 62047874
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
N-[(1-aminocyclohexyl)methyl]oxane-4-sulfonamide
CID 62050311

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63246375) is N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is NCC1(NS(=O)(=O)CC2CCCO2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is RTXYFCKYVAZWIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63246375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).