(4-anilino-1,1-dioxothian-4-yl)methanol

C12H17NO3S — CID 54981355

IUPAC(4-anilino-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C12H17NO3S/c14-10-12(6-8-17(15,16)9-7-12)13-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyYZZXWHQXLKYDEY-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.04
Rot. Bonds3

About (4-anilino-1,1-dioxothian-4-yl)methanol

(4-anilino-1,1-dioxothian-4-yl)methanol (PubChem CID 54981355) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is (4-anilino-1,1-dioxothian-4-yl)methanol.

Molecular Properties

Compound Name(4-anilino-1,1-dioxothian-4-yl)methanol
PubChem CID54981355
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name(4-anilino-1,1-dioxothian-4-yl)methanol
SMILESO=S1(=O)CCC(CO)(Nc2ccccc2)CC1
InChIInChI=1S/C12H17NO3S/c14-10-12(6-8-17(15,16)9-7-12)13-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2
InChIKeyYZZXWHQXLKYDEY-UHFFFAOYSA-N
XLogP1.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-anilino-1,1-dioxothian-4-yl)methanol?
The IUPAC name of (4-anilino-1,1-dioxothian-4-yl)methanol (CID 54981355) is (4-anilino-1,1-dioxothian-4-yl)methanol.
What is the SMILES notation for (4-anilino-1,1-dioxothian-4-yl)methanol?
The canonical SMILES for (4-anilino-1,1-dioxothian-4-yl)methanol is O=S1(=O)CCC(CO)(Nc2ccccc2)CC1.
What is the InChIKey of (4-anilino-1,1-dioxothian-4-yl)methanol?
The InChIKey is YZZXWHQXLKYDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c14-10-12(6-8-17(15,16)9-7-12)13-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2.
What are the key properties of (4-anilino-1,1-dioxothian-4-yl)methanol?
(4-anilino-1,1-dioxothian-4-yl)methanol has a molecular weight of 255.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-anilino-1,1-dioxothian-4-yl)methanol is sourced from PubChem (CID 54981355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).