N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide

C12H25N3O3S — CID 55174690

IUPACN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H25N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-10,13H2,1H3
InChIKeyHPWKLMYRIWMYLO-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.49
Rot. Bonds5

About N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide

N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 55174690) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID55174690
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCN1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1
InChIInChI=1S/C12H25N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-10,13H2,1H3
InChIKeyHPWKLMYRIWMYLO-UHFFFAOYSA-N
XLogP-0.49
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-2-(oxolan-2-yl)ethanesulfonamide
CID 71969883
1-(Oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 63246231
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-2-methoxyethanesulfonamide
CID 55009732
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-2-yl]methanamine
CID 55169496
N-methyl-1-(oxolan-2-yl)-N-(2-piperidin-2-ylethyl)methanesulfonamide
CID 55173539
1-(oxolan-2-yl)-N-(2-piperidin-3-ylethyl)methanesulfonamide
CID 55173540
N-[(6-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanesulfonamide
CID 55173541
N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173730
4-(2-Ethoxyethylsulfonylamino)-1-methylpiperidine-4-carbothioamide
CID 55174109
N-methyl-1-(oxolan-2-ylmethylsulfonyl)piperidin-4-amine
CID 55174497
N-ethyl-1-(oxolan-2-yl)-N-piperidin-4-ylmethanesulfonamide
CID 55174694
N-methyl-1-[1-(oxolan-2-ylmethylsulfonyl)piperidin-3-yl]methanamine
CID 55174695

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 55174690) is N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide is CN1CCC(CN)(NS(=O)(=O)CC2CCCO2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is HPWKLMYRIWMYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-15-6-4-12(10-13,5-7-15)14-19(16,17)9-11-3-2-8-18-11/h11,14H,2-10,13H2,1H3.
What are the key properties of N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpiperidin-4-yl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 55174690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).