N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

C12H24N2O3S — CID 106126336

IUPACN-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H24N2O3S/c13-11-5-3-10(4-6-11)8-14-18(15,16)9-12-2-1-7-17-12/h10-12,14H,1-9,13H2
InChIKeyFXYXZGYPWYUCGP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.60
Rot. Bonds5

About N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide

N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 106126336) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID106126336
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
SMILESNC1CCC(CNS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H24N2O3S/c13-11-5-3-10(4-6-11)8-14-18(15,16)9-12-2-1-7-17-12/h10-12,14H,1-9,13H2
InChIKeyFXYXZGYPWYUCGP-UHFFFAOYSA-N
XLogP0.60
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 ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 114146773
N-(2-aminoethyl)-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119960022
1-(oxan-2-yl)-N-(pyrrolidin-3-ylmethyl)methanesulfonamide
CID 120721075
1-(oxolan-2-yl)-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974117
N-(4-aminobutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246284
2-(oxolan-2-ylmethylsulfonylamino)acetic acid
CID 63246701
N-(3-hydroxypropyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247384
N-[2-(methylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide;hydrochloride
CID 119972933
N-[(1-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247002
N-[2-(ethylamino)ethyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246962
N-[3-(methylamino)propyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63246513
N-(2-ethylbutyl)-1-(oxolan-2-yl)methanesulfonamide
CID 115613323

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide (CID 106126336) is N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is NC1CCC(CNS(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is FXYXZGYPWYUCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-11-5-3-10(4-6-11)8-14-18(15,16)9-12-2-1-7-17-12/h10-12,14H,1-9,13H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide?
N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 106126336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).