N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide

C17H29N5O2S — CID 92634221

IUPACN-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O2S/c1-25(23,24)19-10-8-16-6-2-3-13-22(16)14-15-7-9-18-17(20-15)21-11-4-5-12-21/h7,9,16,19H,2-6,8,10-14H2,1H3/t16-/m0/s1
InChIKeyCMFAHGKJLCKWKX-INIZCTEOSA-N
MW367.52 g/mol
LogP1.37
Rot. Bonds7

About N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide

N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide (PubChem CID 92634221) has the molecular formula C17H29N5O2S and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
PubChem CID92634221
Molecular FormulaC17H29N5O2S
Molecular Weight367.52 g/mol
Exact Mass367.20
IUPAC NameN-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1
InChIInChI=1S/C17H29N5O2S/c1-25(23,24)19-10-8-16-6-2-3-13-22(16)14-15-7-9-18-17(20-15)21-11-4-5-12-21/h7,9,16,19H,2-6,8,10-14H2,1H3/t16-/m0/s1
InChIKeyCMFAHGKJLCKWKX-INIZCTEOSA-N
XLogP1.37
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide (CID 92634221) is N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide is CS(=O)(=O)NCC[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1.
What is the InChIKey of N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is CMFAHGKJLCKWKX-INIZCTEOSA-N. The full InChI is InChI=1S/C17H29N5O2S/c1-25(23,24)19-10-8-16-6-2-3-13-22(16)14-15-7-9-18-17(20-15)21-11-4-5-12-21/h7,9,16,19H,2-6,8,10-14H2,1H3/t16-/m0/s1.
What are the key properties of N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide?
N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 367.52 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2S)-1-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]piperidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 92634221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).