N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide

C20H25N5O2S — CID 25010082

IUPACN-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyVYDWBAYBPOUUPX-IBGZPJMESA-N
MW399.52 g/mol
LogP3.01
Rot. Bonds6

About N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide

N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (PubChem CID 25010082) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
PubChem CID25010082
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC NameN-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1
InChIInChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)/t19-/m0/s1
InChIKeyVYDWBAYBPOUUPX-IBGZPJMESA-N
XLogP3.01
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide (CID 25010082) is N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1.
What is the InChIKey of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
The InChIKey is VYDWBAYBPOUUPX-IBGZPJMESA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-28(26,27)24-18-5-2-4-15(10-18)13-25-9-3-6-19(14-25)22-17-7-8-20-16(11-17)12-21-23-20/h2,4-5,7-8,10-12,19,22,24H,3,6,9,13-14H2,1H3,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide?
N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide has a molecular weight of 399.52 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3S)-3-(1H-indazol-5-ylamino)piperidin-1-yl]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 25010082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).