ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide

C10H23NOS — CID 158908993

IUPACethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)C)CC1.CC
InChIInChI=1S/C8H17NOS.C2H6/c1-8(2)9-4-6-11(3,10)7-5-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyJGKCUSCBVPXOPA-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.45
Rot. Bonds1

About ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide

ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide (PubChem CID 158908993) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Nameethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
PubChem CID158908993
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC Nameethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide
SMILESC=S1(=O)CCN(C(C)C)CC1.CC
InChIInChI=1S/C8H17NOS.C2H6/c1-8(2)9-4-6-11(3,10)7-5-9;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyJGKCUSCBVPXOPA-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-Propan-2-yl-1,4-thiazinane 1,1-dioxide
CID 2806243
4-(3-Fluoropropyl)-3-methyl-1,4-thiazinane 1-oxide
CID 126995244
4-(2-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130606431
4-(3-Fluoropropyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 130627588
4-(2-Fluoroethyl)-2,6-dimethyl-1,4-thiazinane 1-oxide
CID 130693505
4-(3-Fluoropropyl)-2,3-dimethyl-1,4-thiazinane 1-oxide
CID 130725665
4-(3-Fluorobutyl)-3-methyl-1,4-thiazinane 1-oxide
CID 130727461
4-(3-Fluoropropyl)-2-methyl-1,4-thiazinane 1-oxide
CID 131085849
4-(2-Fluoroethyl)-3-methyl-1,4-thiazinane 1-oxide
CID 131154119
(2S,3R)-2,3,4-trimethyl-1,4-thiazinane 1-oxide
CID 101649910
4-Pentan-3-yl-1,4-thiazinane 1,1-dioxide
CID 4353598
4-Butyl-1lambda~4~,4-thiazinan-1-one
CID 12751703

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The IUPAC name of ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide (CID 158908993) is ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide.
What is the SMILES notation for ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The canonical SMILES for ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide is C=S1(=O)CCN(C(C)C)CC1.CC.
What is the InChIKey of ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
The InChIKey is JGKCUSCBVPXOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NOS.C2H6/c1-8(2)9-4-6-11(3,10)7-5-9;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide?
ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide has a molecular weight of 205.37 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylidene-4-propan-2-yl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 158908993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).