4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide

C15H31N3O3S — CID 110822591

IUPAC4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O3S/c1-5-6-11-22(20,21)17-13-7-9-18(10-8-13)14(19)16-12-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyPAJCAVRKIUAOBG-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.93
Rot. Bonds6

About 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide

4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide (PubChem CID 110822591) has the molecular formula C15H31N3O3S and a molecular weight of 333.50 g/mol. Its IUPAC name is 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
PubChem CID110822591
Molecular FormulaC15H31N3O3S
Molecular Weight333.50 g/mol
Exact Mass333.21
IUPAC Name4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1
InChIInChI=1S/C15H31N3O3S/c1-5-6-11-22(20,21)17-13-7-9-18(10-8-13)14(19)16-12-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19)
InChIKeyPAJCAVRKIUAOBG-UHFFFAOYSA-N
XLogP1.93
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-pentanoylpiperidin-4-yl)propane-1-sulfonamide
CID 110819565
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566173
N-ethyl-3-(propylsulfonylamino)pyrrolidine-1-carboxamide
CID 154750307
N-cyclopentyl-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 38287363
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222
N-[1-(3-phenylpropanoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108566076
4-(cyclopropanecarbonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 110822547
N-(1-propan-2-ylpiperidin-4-yl)butane-1-sulfonamide
CID 22772688
N-[1-(3-aminobutanoyl)piperidin-4-yl]propane-1-sulfonamide
CID 119732749
N-[1-(4-phenylbenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563683
N-[1-(2-iodobenzoyl)piperidin-4-yl]butane-1-sulfonamide
CID 108563963

Frequently Asked Questions

What is the IUPAC name of 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The IUPAC name of 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide (CID 110822591) is 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide is CCCCS(=O)(=O)NC1CCN(C(=O)NCC(C)(C)C)CC1.
What is the InChIKey of 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide?
The InChIKey is PAJCAVRKIUAOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O3S/c1-5-6-11-22(20,21)17-13-7-9-18(10-8-13)14(19)16-12-15(2,3)4/h13,17H,5-12H2,1-4H3,(H,16,19).
What are the key properties of 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide?
4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide has a molecular weight of 333.50 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butylsulfonylamino)-N-(2,2-dimethylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 110822591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).