(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

C15H30N2S — CID 29033800

IUPAC(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-14(2,3)13-4-6-15(12-16,7-5-13)17-8-10-18-11-9-17/h13H,4-12,16H2,1-3H3
InChIKeyJJRQTCGLXJEULN-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds2

About (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine

(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (PubChem CID 29033800) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
PubChem CID29033800
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC Name(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
SMILESCC(C)(C)C1CCC(CN)(N2CCSCC2)CC1
InChIInChI=1S/C15H30N2S/c1-14(2,3)13-4-6-15(12-16,7-5-13)17-8-10-18-11-9-17/h13H,4-12,16H2,1-3H3
InChIKeyJJRQTCGLXJEULN-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
(4,4-dimethyl-1-thiomorpholin-4-ylcycloheptyl)methanamine
CID 65088212
[4-(4,4-dimethylpiperidin-1-yl)thian-4-yl]methanamine
CID 62938084
[4-tert-butyl-1-(3,4-dimethylpiperazin-1-yl)cycloheptyl]methanamine
CID 65089417
(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[1-(4-propan-2-ylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 103494802
[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
CID 65090041
[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)thian-4-yl]methanamine
CID 115559326
(3-thiomorpholin-4-yloxolan-3-yl)methanamine
CID 63335224
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The IUPAC name of (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine (CID 29033800) is (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine.
What is the SMILES notation for (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The canonical SMILES for (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is CC(C)(C)C1CCC(CN)(N2CCSCC2)CC1.
What is the InChIKey of (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
The InChIKey is JJRQTCGLXJEULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-14(2,3)13-4-6-15(12-16,7-5-13)17-8-10-18-11-9-17/h13H,4-12,16H2,1-3H3.
What are the key properties of (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine?
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine is sourced from PubChem (CID 29033800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).