4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol

C15H23N3O3S — CID 8891405

IUPAC4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17)
InChIKeyDOPBYURTMYANRR-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.58
Rot. Bonds4

About 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol

4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol (PubChem CID 8891405) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
PubChem CID8891405
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol
SMILESO=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1
InChIInChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17)
InChIKeyDOPBYURTMYANRR-UHFFFAOYSA-N
XLogP1.58
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol (CID 8891405) is 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol is O=S(=O)(c1ccc(NC2CCC(O)CC2)nc1)N1CCCC1.
What is the InChIKey of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
The InChIKey is DOPBYURTMYANRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c19-13-5-3-12(4-6-13)17-15-8-7-14(11-16-15)22(20,21)18-9-1-2-10-18/h7-8,11-13,19H,1-6,9-10H2,(H,16,17).
What are the key properties of 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol?
4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol has a molecular weight of 325.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 8891405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).