[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol

C12H23NO3S — CID 63165951

IUPAC[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESO=S1(=O)CCC(CO)(NC2CCCCCC2)C1
InChIInChI=1S/C12H23NO3S/c14-9-12(7-8-17(15,16)10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2
InChIKeyRLZNWFSEOIUBGX-UHFFFAOYSA-N
MW261.39 g/mol
LogP0.85
Rot. Bonds3

About [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol

[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol (PubChem CID 63165951) has the molecular formula C12H23NO3S and a molecular weight of 261.39 g/mol. Its IUPAC name is [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol.

Molecular Properties

Compound Name[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol
PubChem CID63165951
Molecular FormulaC12H23NO3S
Molecular Weight261.39 g/mol
Exact Mass261.14
IUPAC Name[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol
SMILESO=S1(=O)CCC(CO)(NC2CCCCCC2)C1
InChIInChI=1S/C12H23NO3S/c14-9-12(7-8-17(15,16)10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2
InChIKeyRLZNWFSEOIUBGX-UHFFFAOYSA-N
XLogP0.85
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol?
The IUPAC name of [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol (CID 63165951) is [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol.
What is the SMILES notation for [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol?
The canonical SMILES for [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol is O=S1(=O)CCC(CO)(NC2CCCCCC2)C1.
What is the InChIKey of [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol?
The InChIKey is RLZNWFSEOIUBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3S/c14-9-12(7-8-17(15,16)10-12)13-11-5-3-1-2-4-6-11/h11,13-14H,1-10H2.
What are the key properties of [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol?
[3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol has a molecular weight of 261.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cycloheptylamino)-1,1-dioxothiolan-3-yl]methanol is sourced from PubChem (CID 63165951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).