4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide

C17H37N3O2S — CID 119978105

IUPAC4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1
InChIInChI=1S/C17H37N3O2S/c1-15(2)6-10-19(11-7-16(3)4)23(21,22)20-12-8-17(9-13-20)14-18-5/h15-18H,6-14H2,1-5H3
InChIKeyRPKBJORPLKVFDA-UHFFFAOYSA-N
MW347.57 g/mol
LogP2.56
Rot. Bonds10

About 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide (PubChem CID 119978105) has the molecular formula C17H37N3O2S and a molecular weight of 347.57 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
PubChem CID119978105
Molecular FormulaC17H37N3O2S
Molecular Weight347.57 g/mol
Exact Mass347.26
IUPAC Name4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1
InChIInChI=1S/C17H37N3O2S/c1-15(2)6-10-19(11-7-16(3)4)23(21,22)20-12-8-17(9-13-20)14-18-5/h15-18H,6-14H2,1-5H3
InChIKeyRPKBJORPLKVFDA-UHFFFAOYSA-N
XLogP2.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.57
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide;hydrochloride
CID 119978104
N,N-diethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 63248937
N,N-bis(2-methoxyethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide;hydrochloride
CID 119978540
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103192345
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
N-methyl-1-[1-[4-(3-methylbutyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978398
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 119977585
4-(ethylaminomethyl)-N,N-bis(2-methoxyethyl)piperidine-1-sulfonamide
CID 119990745
N,N-diethyl-4-(ethylaminomethyl)piperidine-1-sulfonamide
CID 63879312
1-[1-(1-methoxypropan-2-ylsulfonyl)pyrrolidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119977573
N-ethyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide;hydrochloride
CID 119977584
N-cyclohexyl-N-methyl-3-(methylaminomethyl)pyrrolidine-1-sulfonamide
CID 63263786

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide (CID 119978105) is 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)N(CCC(C)C)CCC(C)C)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide?
The InChIKey is RPKBJORPLKVFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O2S/c1-15(2)6-10-19(11-7-16(3)4)23(21,22)20-12-8-17(9-13-20)14-18-5/h15-18H,6-14H2,1-5H3.
What are the key properties of 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide has a molecular weight of 347.57 g/mol, XLogP of 2.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N,N-bis(3-methylbutyl)piperidine-1-sulfonamide is sourced from PubChem (CID 119978105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).