2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide

C17H28N4O3S — CID 133373776

IUPAC2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C17H28N4O3S/c1-17(2,3)25(23,24)16-6-5-14(11-19-16)20-13-7-9-21(10-8-13)12-15(22)18-4/h5-6,11,13,20H,7-10,12H2,1-4H3,(H,18,22)
InChIKeyWZCNDGIGKMDHFK-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.28
Rot. Bonds5

About 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide

2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 133373776) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID133373776
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1
InChIInChI=1S/C17H28N4O3S/c1-17(2,3)25(23,24)16-6-5-14(11-19-16)20-13-7-9-21(10-8-13)12-15(22)18-4/h5-6,11,13,20H,7-10,12H2,1-4H3,(H,18,22)
InChIKeyWZCNDGIGKMDHFK-UHFFFAOYSA-N
XLogP1.28
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-tert-butylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
CID 133360515
6-tert-butylsulfonyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]pyridin-3-amine
CID 133486919
N-methyl-2-[4-[(5-nitro-2-pyridinyl)amino]piperidin-1-yl]acetamide
CID 32884003
N-methyl-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]acetamide
CID 61275918
6-tert-butylsulfonyl-N-(2-pentan-3-yloxan-4-yl)pyridin-3-amine
CID 133461855
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide
CID 167879235
N-methyl-2-[4-[(6-methylsulfonylquinazolin-4-yl)amino]piperidin-1-yl]acetamide
CID 167848756
2-[4-[(3,5-difluorophenyl)sulfonylamino]piperidin-1-yl]-N-methylacetamide
CID 34268559
N-methyl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl]acetamide
CID 136522623
2,2-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]propanamide
CID 60751395
4-[(6-methylsulfonyl-3-pyridinyl)amino]cyclohexan-1-ol
CID 106593692

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide (CID 133373776) is 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(Nc2ccc(S(=O)(=O)C(C)(C)C)nc2)CC1.
What is the InChIKey of 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is WZCNDGIGKMDHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-17(2,3)25(23,24)16-6-5-14(11-19-16)20-13-7-9-21(10-8-13)12-15(22)18-4/h5-6,11,13,20H,7-10,12H2,1-4H3,(H,18,22).
What are the key properties of 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 368.50 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-tert-butylsulfonyl-3-pyridinyl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 133373776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).