4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine

C9H16ClNS — CID 130739907

IUPAC4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
SMILESC=C(Cl)CN1CCSC(C)(C)C1
InChIInChI=1S/C9H16ClNS/c1-8(10)6-11-4-5-12-9(2,3)7-11/h1,4-7H2,2-3H3
InChIKeyCTWYZHAZMIIBCL-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.57
Rot. Bonds2

About 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine

4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine (PubChem CID 130739907) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine.

Molecular Properties

Compound Name4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
PubChem CID130739907
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine
SMILESC=C(Cl)CN1CCSC(C)(C)C1
InChIInChI=1S/C9H16ClNS/c1-8(10)6-11-4-5-12-9(2,3)7-11/h1,4-7H2,2-3H3
InChIKeyCTWYZHAZMIIBCL-UHFFFAOYSA-N
XLogP2.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-4-[(1-methylcyclopropyl)methyl]thiomorpholine
CID 126999480
3-(2,2-dimethylthiomorpholin-4-yl)-2,2-dimethylpropan-1-ol
CID 115773092
6-(2-chloroprop-2-enyl)-6-azaspiro[3.5]nonane
CID 130636839
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)butan-2-ol
CID 130162029
1-(2-chloroprop-2-enyl)-3,3-dimethylpiperidin-4-amine
CID 130505353
6-(2,2-dimethylthiomorpholin-4-yl)hexan-3-one
CID 106801591
4-(2,2-dimethylthiomorpholin-4-yl)-2-ethylbut-2-enoic acid
CID 104874800
4-[2-(azetidin-3-yl)ethyl]-2,2-dimethylthiomorpholine
CID 116680473
methyl 4-(2,2-dimethylthiomorpholin-4-yl)-2-methylbut-2-enoate
CID 103740109
1-(2,2-dimethylthiomorpholin-4-yl)-4-methoxy-4-methylpentan-3-ol
CID 114229275
2-(7,7-dimethyl-1,4-thiazepan-4-yl)acetamide
CID 107271958
[1-(2-chloroprop-2-enyl)-3-fluoropiperidin-3-yl]methanol
CID 130616482

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine?
The IUPAC name of 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine (CID 130739907) is 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine.
What is the SMILES notation for 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine?
The canonical SMILES for 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine is C=C(Cl)CN1CCSC(C)(C)C1.
What is the InChIKey of 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine?
The InChIKey is CTWYZHAZMIIBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-8(10)6-11-4-5-12-9(2,3)7-11/h1,4-7H2,2-3H3.
What are the key properties of 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine?
4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine has a molecular weight of 205.75 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroprop-2-enyl)-2,2-dimethylthiomorpholine is sourced from PubChem (CID 130739907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).