N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide

C13H29N3O2S — CID 62009652

IUPACN-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-5-13(6-2,11-14)15(4)19(17,18)16-9-7-8-12(3)10-16/h12H,5-11,14H2,1-4H3
InChIKeyUGAHIHXDKABFHU-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.41
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide

N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 62009652) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID62009652
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCC(CC)(CN)N(C)S(=O)(=O)N1CCCC(C)C1
InChIInChI=1S/C13H29N3O2S/c1-5-13(6-2,11-14)15(4)19(17,18)16-9-7-8-12(3)10-16/h12H,5-11,14H2,1-4H3
InChIKeyUGAHIHXDKABFHU-UHFFFAOYSA-N
XLogP1.41
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
N-(1-amino-2-methylpropan-2-yl)-N,4-dimethylpiperidine-1-sulfonamide
CID 62007441
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-[1-(aminomethyl)cyclopentyl]-3-methyl-N-propylpiperidine-1-sulfonamide
CID 62009026
2-[2-methoxyethyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94798810
N-(cyclopropylmethyl)-3-methyl-N-propylpiperidine-1-sulfonamide
CID 78848929
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide (CID 62009652) is N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide is CCC(CC)(CN)N(C)S(=O)(=O)N1CCCC(C)C1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is UGAHIHXDKABFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-13(6-2,11-14)15(4)19(17,18)16-9-7-8-12(3)10-16/h12H,5-11,14H2,1-4H3.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide?
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 62009652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).