N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine

C16H26N4O2S — CID 110105853

IUPACN,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
SMILESCN(C)c1cc(C2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1
InChIInChI=1S/C16H26N4O2S/c1-18(2)16-12-14(7-8-17-16)15-6-5-11-20(13-15)23(21,22)19-9-3-4-10-19/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyKMSYTYHLIRQCCI-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.67
Rot. Bonds4

About N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine

N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine (PubChem CID 110105853) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
PubChem CID110105853
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine
SMILESCN(C)c1cc(C2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1
InChIInChI=1S/C16H26N4O2S/c1-18(2)16-12-14(7-8-17-16)15-6-5-11-20(13-15)23(21,22)19-9-3-4-10-19/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyKMSYTYHLIRQCCI-UHFFFAOYSA-N
XLogP1.67
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 110258904
N,N-dimethyl-4-(1-pyridin-4-ylpiperidin-3-yl)pyridin-2-amine
CID 110269030
2-cyclopropyl-1-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125005497
N,N-dimethyl-4-[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124996283
[(2R)-2-[2-(dimethylamino)-4-pyridinyl]pyrrolidin-1-yl]-(1-methylsulfonylazetidin-3-yl)methanone
CID 124999262
N,N-dimethyl-4-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 125008778
[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 125027034
3-[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 125023343
1,3-benzodioxol-5-yl-[(3S)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 124955424
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147
N,N-dimethyl-4-[(3S)-piperidin-3-yl]pyridin-2-amine
CID 95804693
3-[3-[2-(dimethylamino)-4-pyridinyl]piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 110105858

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The IUPAC name of N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine (CID 110105853) is N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine is CN(C)c1cc(C2CCCN(S(=O)(=O)N3CCCC3)C2)ccn1.
What is the InChIKey of N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
The InChIKey is KMSYTYHLIRQCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-18(2)16-12-14(7-8-17-16)15-6-5-11-20(13-15)23(21,22)19-9-3-4-10-19/h7-8,12,15H,3-6,9-11,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine?
N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine has a molecular weight of 338.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-pyrrolidin-1-ylsulfonylpiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 110105853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).