N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide

C13H29N3O2S — CID 115317600

IUPACN-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)13(14)7-9-15(4)19(17,18)16-8-5-6-12(3)10-16/h11-13H,5-10,14H2,1-4H3
InChIKeyDTNFVZKGQPXGLR-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.27
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide

N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 115317600) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID115317600
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC NameN-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)N(C)CCC(N)C(C)C)C1
InChIInChI=1S/C13H29N3O2S/c1-11(2)13(14)7-9-15(4)19(17,18)16-8-5-6-12(3)10-16/h11-13H,5-10,14H2,1-4H3
InChIKeyDTNFVZKGQPXGLR-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-N-methylpyrrolidine-1-sulfonamide
CID 115317691
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322
N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
methyl 4-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]butanoate
CID 54942769
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 80674883
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
N,3-dimethyl-N-(piperidin-4-ylmethyl)piperidine-1-sulfonamide
CID 79716652
N-(2-amino-4-methylpentyl)-3-methylpiperidine-1-sulfonamide
CID 43606393
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
CID 62009652
3-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910645

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide (CID 115317600) is N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)N(C)CCC(N)C(C)C)C1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is DTNFVZKGQPXGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-11(2)13(14)7-9-15(4)19(17,18)16-8-5-6-12(3)10-16/h11-13H,5-10,14H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide?
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 291.46 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 115317600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).