N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide

C12H25N3O2S — CID 54973820

IUPACN-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O2S/c1-15-8-5-11(6-9-15)14-18(16,17)10-12-4-2-3-7-13-12/h11-14H,2-10H2,1H3
InChIKeyZYBCUAMJXQTBOU-UHFFFAOYSA-N
MW275.42 g/mol
LogP0.14
Rot. Bonds4

About N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide

N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 54973820) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID54973820
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC NameN-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide
SMILESCN1CCC(NS(=O)(=O)CC2CCCCN2)CC1
InChIInChI=1S/C12H25N3O2S/c1-15-8-5-11(6-9-15)14-18(16,17)10-12-4-2-3-7-13-12/h11-14H,2-10H2,1H3
InChIKeyZYBCUAMJXQTBOU-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-methylpiperidin-4-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54972072
N-(4-methylcyclohexyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973720
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-piperidin-2-ylmethanesulfonamide
CID 107164552
N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973665
1-methyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106633123
1-(azetidin-2-yl)-N-cyclohexylmethanesulfonamide
CID 115071232
N-(3-methylsulfanylcyclopentyl)-1-piperidin-2-ylmethanesulfonamide
CID 114123736
1-piperidin-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)methanesulfonamide
CID 62318142
N-methyl-1-[(2S)-pyrrolidin-2-yl]methanesulfonamide
CID 94233927
1-bromo-N-(1-methylpiperidin-4-yl)methanesulfonamide
CID 83084018
N-(2,3-dimethylcyclopentyl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 64923611
N-(2-methoxypropyl)-1-piperidin-2-ylmethanesulfonamide
CID 102699220

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide (CID 54973820) is N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide is CN1CCC(NS(=O)(=O)CC2CCCCN2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is ZYBCUAMJXQTBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-15-8-5-11(6-9-15)14-18(16,17)10-12-4-2-3-7-13-12/h11-14H,2-10H2,1H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide?
N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 275.42 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 54973820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).