1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide

C11H23NOS — CID 58841397

IUPAC1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide
SMILESC=S1(=O)CCC(C(C)C)C(C(C)C)N1
InChIInChI=1S/C11H23NOS/c1-8(2)10-6-7-14(5,13)12-11(10)9(3)4/h8-11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOJDAWMQKVXMIDS-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.91
Rot. Bonds2

About 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide

1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide (PubChem CID 58841397) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide.

Molecular Properties

Compound Name1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide
PubChem CID58841397
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide
SMILESC=S1(=O)CCC(C(C)C)C(C(C)C)N1
InChIInChI=1S/C11H23NOS/c1-8(2)10-6-7-14(5,13)12-11(10)9(3)4/h8-11H,5-7H2,1-4H3,(H,12,13)
InChIKeyOJDAWMQKVXMIDS-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-3,4-di(propan-2-yl)-1,2-thiazolidine 1,1-dioxide
CID 59706739
(3S)-3-propan-2-yl-1,2-thiazolidine 1,1-dioxide
CID 86676751
(1S)-1,2-di(propan-2-yl)cyclopentane
CID 161356354
(4S,5R)-4,5-di(propan-2-yl)pyrrolidin-2-one
CID 59706732
(3S,4S)-3,4-di(propan-2-yl)oxane
CID 121421969
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(3S)-3-propan-2-yl-2,3-dihydro-1,2-thiazole 1,1-dioxide
CID 11205943
5,6,7-tri(propan-2-yl)-1,4-diazepane
CID 164721166
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
1,2-dimethyl-3-propan-2-ylcyclopentane
CID 544190
6,7,8-tri(propan-2-yl)-1,4-diazocan-2-one
CID 167375595
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 57494678

Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide?
The IUPAC name of 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide (CID 58841397) is 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide.
What is the SMILES notation for 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide?
The canonical SMILES for 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide is C=S1(=O)CCC(C(C)C)C(C(C)C)N1.
What is the InChIKey of 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide?
The InChIKey is OJDAWMQKVXMIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS/c1-8(2)10-6-7-14(5,13)12-11(10)9(3)4/h8-11H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide?
1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide has a molecular weight of 217.38 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3,4-di(propan-2-yl)thiazinane 1-oxide is sourced from PubChem (CID 58841397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).