(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone

C13H24N2OS — CID 115734565

IUPAC(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2(N)CCCCC2)CCS1
InChIInChI=1S/C13H24N2OS/c1-12(2)10-15(8-9-17-12)11(16)13(14)6-4-3-5-7-13/h3-10,14H2,1-2H3
InChIKeySERSPDSTEUIZEU-UHFFFAOYSA-N
MW256.41 g/mol
LogP2.00
Rot. Bonds1

About (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone

(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone (PubChem CID 115734565) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
PubChem CID115734565
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone
SMILESCC1(C)CN(C(=O)C2(N)CCCCC2)CCS1
InChIInChI=1S/C13H24N2OS/c1-12(2)10-15(8-9-17-12)11(16)13(14)6-4-3-5-7-13/h3-10,14H2,1-2H3
InChIKeySERSPDSTEUIZEU-UHFFFAOYSA-N
XLogP2.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopropyl)-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 119807614
1-(2,2-dimethylthiomorpholine-4-carbonyl)-N'-hydroxycyclohexane-1-carboximidamide
CID 104874862
(1-aminocyclohexyl)-(2-azaspiro[5.5]undecan-2-yl)methanone;hydrochloride
CID 119324320
(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62930739
(1-aminocyclopentyl)-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392358
4-(2,2-dimethylthiomorpholin-4-yl)-4-oxobutanoic acid
CID 115910476
4-amino-1-(2,2-dimethylthiomorpholin-4-yl)butan-1-one;hydrochloride
CID 119328228
4-(2,2-dimethylthiomorpholine-4-carbonyl)oxane-4-carbonitrile
CID 115683420
2-chloro-1-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107453818
(2R)-1-(2,2-dimethylthiomorpholin-4-yl)-2-hydroxypropan-1-one
CID 130736766
1-(2,2-dimethylthiomorpholin-4-yl)-2-(methylamino)ethanone;hydrochloride
CID 119791850

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The IUPAC name of (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone (CID 115734565) is (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone.
What is the SMILES notation for (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The canonical SMILES for (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone is CC1(C)CN(C(=O)C2(N)CCCCC2)CCS1.
What is the InChIKey of (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
The InChIKey is SERSPDSTEUIZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-12(2)10-15(8-9-17-12)11(16)13(14)6-4-3-5-7-13/h3-10,14H2,1-2H3.
What are the key properties of (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone?
(1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone has a molecular weight of 256.41 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-(2,2-dimethylthiomorpholin-4-yl)methanone is sourced from PubChem (CID 115734565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).