N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

C12H24N2O3S — CID 63247002

IUPACN-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1(CNS(=O)(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-12(6-2-1-3-7-12)10-14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2
InChIKeyNLLKODMMMKUITJ-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.75
Rot. Bonds5

About N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 63247002) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID63247002
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1(CNS(=O)(=O)CC2CCCO2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-12(6-2-1-3-7-12)10-14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2
InChIKeyNLLKODMMMKUITJ-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-aminocycloheptyl)methyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119998562
N-[(1-hydroxycyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 65113198
N-[(4-hydroxyoxan-4-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 81131179
N-[(1-aminocyclohexyl)methyl]-1-cyclohexylmethanesulfonamide;hydrochloride
CID 119958818
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
N-[1-(hydroxymethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247259
N-[1-(bromomethyl)cyclohexyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271040
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 106126336
N-(1-cyanocycloheptyl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173729
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 63247002) is N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is NC1(CNS(=O)(=O)CC2CCCO2)CCCCC1.
What is the InChIKey of N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is NLLKODMMMKUITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-12(6-2-1-3-7-12)10-14-18(15,16)9-11-5-4-8-17-11/h11,14H,1-10,13H2.
What are the key properties of N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[(1-aminocyclohexyl)methyl]-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-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 63247002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).