N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide

C11H25N3O2S — CID 54974104

IUPACN-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C)CCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H25N3O2S/c1-14(2)9-3-6-13-17(15,16)10-11-4-7-12-8-5-11/h11-13H,3-10H2,1-2H3
InChIKeyGXNBTYIVQODGIK-UHFFFAOYSA-N
MW263.41 g/mol
LogP-0.14
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide

N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide (PubChem CID 54974104) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
PubChem CID54974104
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC NameN-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide
SMILESCN(C)CCCNS(=O)(=O)CC1CCNCC1
InChIInChI=1S/C11H25N3O2S/c1-14(2)9-3-6-13-17(15,16)10-11-4-7-12-8-5-11/h11-13H,3-10H2,1-2H3
InChIKeyGXNBTYIVQODGIK-UHFFFAOYSA-N
XLogP-0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-piperidin-4-yl-N-(3-pyrrolidin-1-ylpropyl)methanesulfonamide
CID 62989954
1-piperidin-4-yl-N-(4-propan-2-yloxybutyl)methanesulfonamide
CID 106013582
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-ylmethanesulfonamide
CID 83120440
1-piperidin-4-yl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64531586
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 62617015
1-piperidin-4-yl-N-(2-prop-2-ynylsulfanylethyl)methanesulfonamide
CID 106430217
1-piperidin-4-yl-N-(2,3,3-trimethylbutyl)methanesulfonamide
CID 83144358
N-[3-(dimethylamino)propyl]-N-methyl-2-piperidin-4-ylethanesulfonamide
CID 63701090
N-(3-aminopropyl)-1-cyclopropylmethanesulfonamide
CID 64990338
N-[3-[methyl(propan-2-yl)amino]propyl]piperidine-4-sulfonamide
CID 106049193
4-[2-(dimethylsulfamoylamino)ethyl]piperidine
CID 60904523
N-(3-cyclopentylpropyl)-2-piperidin-4-ylethanesulfonamide
CID 106016429

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide (CID 54974104) is N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide is CN(C)CCCNS(=O)(=O)CC1CCNCC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide?
The InChIKey is GXNBTYIVQODGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-14(2)9-3-6-13-17(15,16)10-11-4-7-12-8-5-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide?
N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide has a molecular weight of 263.41 g/mol, XLogP of -0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-piperidin-4-ylmethanesulfonamide is sourced from PubChem (CID 54974104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).