4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide

C10H19NO2S — CID 3832716

IUPAC4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CCCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2
InChIKeyHRAPZHPUUXWUTA-UHFFFAOYSA-N
MW217.33 g/mol
LogP0.91
Rot. Bonds2

About 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide

4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 3832716) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
PubChem CID3832716
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(CC2CCCC2)CC1
InChIInChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2
InChIKeyHRAPZHPUUXWUTA-UHFFFAOYSA-N
XLogP0.91
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide (CID 3832716) is 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(CC2CCCC2)CC1.
What is the InChIKey of 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is HRAPZHPUUXWUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c12-14(13)7-5-11(6-8-14)9-10-3-1-2-4-10/h10H,1-9H2.
What are the key properties of 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide?
4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 217.33 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 3832716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).