N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide

C16H31N3O3S — CID 119722485

IUPACN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(CC(=O)N1CCCC(CNS(C)(=O)=O)C1)C1CCCNC1
InChIInChI=1S/C16H31N3O3S/c1-13(15-6-3-7-17-11-15)9-16(20)19-8-4-5-14(12-19)10-18-23(2,21)22/h13-15,17-18H,3-12H2,1-2H3
InChIKeyMTSHTRZTJYOTSM-UHFFFAOYSA-N
MW345.51 g/mol
LogP0.80
Rot. Bonds6

About N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide

N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 119722485) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
PubChem CID119722485
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide
SMILESCC(CC(=O)N1CCCC(CNS(C)(=O)=O)C1)C1CCCNC1
InChIInChI=1S/C16H31N3O3S/c1-13(15-6-3-7-17-11-15)9-16(20)19-8-4-5-14(12-19)10-18-23(2,21)22/h13-15,17-18H,3-12H2,1-2H3
InChIKeyMTSHTRZTJYOTSM-UHFFFAOYSA-N
XLogP0.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]butanamide
CID 119761643
N-[[1-[2-(azetidin-3-yl)acetyl]piperidin-3-yl]methyl]methanesulfonamide
CID 64609955
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119894294
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119715757
N-butyl-1-(3-piperidin-3-ylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119762851
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide (CID 119722485) is N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide is CC(CC(=O)N1CCCC(CNS(C)(=O)=O)C1)C1CCCNC1.
What is the InChIKey of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MTSHTRZTJYOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c1-13(15-6-3-7-17-11-15)9-16(20)19-8-4-5-14(12-19)10-18-23(2,21)22/h13-15,17-18H,3-12H2,1-2H3.
What are the key properties of N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide?
N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 345.51 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-piperidin-3-ylbutanoyl)piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 119722485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).