(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine

C14H28N2S — CID 65088212

IUPAC(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
SMILESCC1(C)CCCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-13(2)4-3-5-14(12-15,7-6-13)16-8-10-17-11-9-16/h3-12,15H2,1-2H3
InChIKeyJWUGOOYVHKNMCH-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds2

About (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine

(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine (PubChem CID 65088212) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine.

Molecular Properties

Compound Name(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
PubChem CID65088212
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
SMILESCC1(C)CCCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-13(2)4-3-5-14(12-15,7-6-13)16-8-10-17-11-9-16/h3-12,15H2,1-2H3
InChIKeyJWUGOOYVHKNMCH-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
(5,5-dimethyl-3-thiomorpholin-4-ylthian-3-yl)methanamine
CID 79958750
[3,3,5,5-tetramethyl-1-(1,4-thiazepan-4-yl)cyclohexyl]methanamine
CID 112682338
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 29033800
[1-(3,5-dimethylpiperidin-1-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088509
[1-(2,6-dimethylmorpholin-4-yl)-4,4-dimethylcycloheptyl]methanamine
CID 65088160
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[1-(3,3-dimethylpiperidin-1-yl)cyclopropyl]methanamine
CID 106661250
[4,4-dimethyl-1-(2-methyl-1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 65088033
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304

Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine?
The IUPAC name of (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine (CID 65088212) is (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine.
What is the SMILES notation for (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine?
The canonical SMILES for (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine is CC1(C)CCCC(CN)(N2CCSCC2)CC1.
What is the InChIKey of (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine?
The InChIKey is JWUGOOYVHKNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)4-3-5-14(12-15,7-6-13)16-8-10-17-11-9-16/h3-12,15H2,1-2H3.
What are the key properties of (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine?
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine has a molecular weight of 256.46 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine is sourced from PubChem (CID 65088212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).