trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol

C15H20N4O3S — CID 146113081

IUPACtrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol
SMILESCS(=O)(=O)c1cccnc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)14-3-2-4-17-15(14)18-12-7-11(8-13(12)20)9-19-6-5-16-10-19/h2-6,10-13,20H,7-9H2,1H3,(H,17,18)/t11?,12-,13-/m1/s1
InChIKeyMUADXBYAOJONDG-VFRRUGBOSA-N
MW336.42 g/mol
LogP0.93
Rot. Bonds5

About trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol

trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol (PubChem CID 146113081) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol
PubChem CID146113081
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Nametrans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol
SMILESCS(=O)(=O)c1cccnc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)14-3-2-4-17-15(14)18-12-7-11(8-13(12)20)9-19-6-5-16-10-19/h2-6,10-13,20H,7-9H2,1H3,(H,17,18)/t11?,12-,13-/m1/s1
InChIKeyMUADXBYAOJONDG-VFRRUGBOSA-N
XLogP0.93
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol (CID 146113081) is trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol is CS(=O)(=O)c1cccnc1N[C@@H]1CC(Cn2ccnc2)C[C@H]1O.
What is the InChIKey of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol?
The InChIKey is MUADXBYAOJONDG-VFRRUGBOSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-23(21,22)14-3-2-4-17-15(14)18-12-7-11(8-13(12)20)9-19-6-5-16-10-19/h2-6,10-13,20H,7-9H2,1H3,(H,17,18)/t11?,12-,13-/m1/s1.
What are the key properties of trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol?
trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol has a molecular weight of 336.42 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-(imidazol-1-ylmethyl)-2-[(3-methylsulfonyl-2-pyridinyl)amino]cyclopentan-1-ol is sourced from PubChem (CID 146113081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).