1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol

C15H25N3O4S — CID 124990900

IUPAC1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CC1(O)CCCCC1
InChIInChI=1S/C15H25N3O4S/c1-23(20,21)13-9-16-17-14(13)12-10-22-8-7-18(12)11-15(19)5-3-2-4-6-15/h9,12,19H,2-8,10-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyPFDLXDDUWIXWIO-GFCCVEGCSA-N
MW343.45 g/mol
LogP0.88
Rot. Bonds4

About 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol

1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol (PubChem CID 124990900) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
PubChem CID124990900
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CC1(O)CCCCC1
InChIInChI=1S/C15H25N3O4S/c1-23(20,21)13-9-16-17-14(13)12-10-22-8-7-18(12)11-15(19)5-3-2-4-6-15/h9,12,19H,2-8,10-11H2,1H3,(H,16,17)/t12-/m1/s1
InChIKeyPFDLXDDUWIXWIO-GFCCVEGCSA-N
XLogP0.88
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol (CID 124990900) is 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol is CS(=O)(=O)c1cn[nH]c1[C@H]1COCCN1CC1(O)CCCCC1.
What is the InChIKey of 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
The InChIKey is PFDLXDDUWIXWIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-23(20,21)13-9-16-17-14(13)12-10-22-8-7-18(12)11-15(19)5-3-2-4-6-15/h9,12,19H,2-8,10-11H2,1H3,(H,16,17)/t12-/m1/s1.
What are the key properties of 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol?
1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol has a molecular weight of 343.45 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 124990900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).