1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide

C18H37N3O3S — CID 60559363

IUPAC1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(CC(C)C)CN(C)C)CC1
InChIInChI=1S/C18H37N3O3S/c1-6-7-12-25(23,24)21-10-8-16(9-11-21)18(22)19-17(13-15(2)3)14-20(4)5/h15-17H,6-14H2,1-5H3,(H,19,22)
InChIKeyMHRXJWYWMFOVBJ-UHFFFAOYSA-N
MW375.58 g/mol
LogP1.92
Rot. Bonds10

About 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide

1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide (PubChem CID 60559363) has the molecular formula C18H37N3O3S and a molecular weight of 375.58 g/mol. Its IUPAC name is 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
PubChem CID60559363
Molecular FormulaC18H37N3O3S
Molecular Weight375.58 g/mol
Exact Mass375.26
IUPAC Name1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(CC(C)C)CN(C)C)CC1
InChIInChI=1S/C18H37N3O3S/c1-6-7-12-25(23,24)21-10-8-16(9-11-21)18(22)19-17(13-15(2)3)14-20(4)5/h15-17H,6-14H2,1-5H3,(H,19,22)
InChIKeyMHRXJWYWMFOVBJ-UHFFFAOYSA-N
XLogP1.92
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.58
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
N-(1-amino-2,3-dimethylbutan-2-yl)-1-butylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119606604
1-butylsulfonyl-N-[(1S)-1-(5-methylfuran-2-yl)ethyl]piperidine-4-carboxamide
CID 52511301
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702923
N-[(1-butylsulfonylpiperidin-4-yl)methyl]-2-methylpropan-1-amine
CID 63878575
1-butylsulfonyl-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-4-carboxamide
CID 6472564
1-ethylsulfonyl-N-(1-hydroxybutan-2-yl)piperidine-4-carboxamide
CID 43418051
1-butylsulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 60559721

Frequently Asked Questions

What is the IUPAC name of 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide (CID 60559363) is 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide is CCCCS(=O)(=O)N1CCC(C(=O)NC(CC(C)C)CN(C)C)CC1.
What is the InChIKey of 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide?
The InChIKey is MHRXJWYWMFOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O3S/c1-6-7-12-25(23,24)21-10-8-16(9-11-21)18(22)19-17(13-15(2)3)14-20(4)5/h15-17H,6-14H2,1-5H3,(H,19,22).
What are the key properties of 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide?
1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide has a molecular weight of 375.58 g/mol, XLogP of 1.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 60559363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).