benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol

C15H20N4O3S — CID 25000512

IUPACbenzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol
SMILESO=S(=O)(C1CC1)N1CCC(C(O)n2nnc3ccccc32)CC1
InChIInChI=1S/C15H20N4O3S/c20-15(19-14-4-2-1-3-13(14)16-17-19)11-7-9-18(10-8-11)23(21,22)12-5-6-12/h1-4,11-12,15,20H,5-10H2
InChIKeyKUIIDMNBLCRNBR-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.13
Rot. Bonds4

About benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol

benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol (PubChem CID 25000512) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol.

Molecular Properties

Compound Namebenzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol
PubChem CID25000512
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Namebenzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol
SMILESO=S(=O)(C1CC1)N1CCC(C(O)n2nnc3ccccc32)CC1
InChIInChI=1S/C15H20N4O3S/c20-15(19-14-4-2-1-3-13(14)16-17-19)11-7-9-18(10-8-11)23(21,22)12-5-6-12/h1-4,11-12,15,20H,5-10H2
InChIKeyKUIIDMNBLCRNBR-UHFFFAOYSA-N
XLogP1.13
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol?
The IUPAC name of benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol (CID 25000512) is benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol.
What is the SMILES notation for benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol?
The canonical SMILES for benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol is O=S(=O)(C1CC1)N1CCC(C(O)n2nnc3ccccc32)CC1.
What is the InChIKey of benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol?
The InChIKey is KUIIDMNBLCRNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c20-15(19-14-4-2-1-3-13(14)16-17-19)11-7-9-18(10-8-11)23(21,22)12-5-6-12/h1-4,11-12,15,20H,5-10H2.
What are the key properties of benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol?
benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol has a molecular weight of 336.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-(1-cyclopropylsulfonylpiperidin-4-yl)methanol is sourced from PubChem (CID 25000512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).