N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

C14H24N4O2S — CID 59222286

IUPACN-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)Nc1cccnc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O2S/c1-11(2)16-13-5-4-8-15-14(13)18-9-6-12(7-10-18)17-21(3,19)20/h4-5,8,11-12,16-17H,6-7,9-10H2,1-3H3
InChIKeyYFBCFZPERUVADP-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.42
Rot. Bonds5

About N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide

N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (PubChem CID 59222286) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
PubChem CID59222286
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide
SMILESCC(C)Nc1cccnc1N1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H24N4O2S/c1-11(2)16-13-5-4-8-15-14(13)18-9-6-12(7-10-18)17-21(3,19)20/h4-5,8,11-12,16-17H,6-7,9-10H2,1-3H3
InChIKeyYFBCFZPERUVADP-UHFFFAOYSA-N
XLogP1.42
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide (CID 59222286) is N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is CC(C)Nc1cccnc1N1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is YFBCFZPERUVADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)16-13-5-4-8-15-14(13)18-9-6-12(7-10-18)17-21(3,19)20/h4-5,8,11-12,16-17H,6-7,9-10H2,1-3H3.
What are the key properties of N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide?
N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(propan-2-ylamino)-2-pyridinyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 59222286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).