1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide

C14H25N3O2S — CID 164640927

IUPAC1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C14H25N3O2S/c1-10-14(12(3)17(4)15-10)11(2)16-20(18,19)9-13-7-5-6-8-13/h11,13,16H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyPJHMLEDNPZZBKG-NSHDSACASA-N
MW299.44 g/mol
LogP2.21
Rot. Bonds5

About 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide

1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide (PubChem CID 164640927) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide
PubChem CID164640927
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)CC1CCCC1
InChIInChI=1S/C14H25N3O2S/c1-10-14(12(3)17(4)15-10)11(2)16-20(18,19)9-13-7-5-6-8-13/h11,13,16H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyPJHMLEDNPZZBKG-NSHDSACASA-N
XLogP2.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide (CID 164640927) is 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide is Cc1nn(C)c(C)c1[C@H](C)NS(=O)(=O)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is PJHMLEDNPZZBKG-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-10-14(12(3)17(4)15-10)11(2)16-20(18,19)9-13-7-5-6-8-13/h11,13,16H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide?
1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 164640927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).