4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide

C18H33N3O2S — CID 120941832

IUPAC4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1
InChIInChI=1S/C18H33N3O2S/c19-14-17(6-10-23-11-7-17)16(22)20-15-18(4-2-1-3-5-18)21-8-12-24-13-9-21/h1-15,19H2,(H,20,22)
InChIKeyTYZZHOWFOOIQFU-UHFFFAOYSA-N
MW355.55 g/mol
LogP1.61
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide (PubChem CID 120941832) has the molecular formula C18H33N3O2S and a molecular weight of 355.55 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
PubChem CID120941832
Molecular FormulaC18H33N3O2S
Molecular Weight355.55 g/mol
Exact Mass355.23
IUPAC Name4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide
SMILESNCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1
InChIInChI=1S/C18H33N3O2S/c19-14-17(6-10-23-11-7-17)16(22)20-15-18(4-2-1-3-5-18)21-8-12-24-13-9-21/h1-15,19H2,(H,20,22)
InChIKeyTYZZHOWFOOIQFU-UHFFFAOYSA-N
XLogP1.61
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.55
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941831
4-(aminomethyl)-N-[(4-pyrrolidin-1-yloxan-4-yl)methyl]oxane-4-carboxamide
CID 120941156
4-(aminomethyl)-N-[(2-methylthiolan-2-yl)methyl]oxane-4-carboxamide
CID 113310160
1-amino-N-[(4-piperidin-1-yloxan-4-yl)methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119886673
(1R)-2,2-dichloro-1-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]cyclopropane-1-carboxamide
CID 99807217
(2S)-2-amino-4-methyl-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]pentanamide
CID 119887110
1-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119862780
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
4-(aminomethyl)-N-(thian-4-ylmethyl)oxane-4-carboxamide;hydrochloride
CID 120928615
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
4-(aminomethyl)-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide;dihydrochloride
CID 120938295
1-(aminomethyl)-N-(2-thiomorpholin-4-ylethyl)cyclopentane-1-carboxamide
CID 103813670

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide (CID 120941832) is 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide is NCC1(C(=O)NCC2(N3CCSCC3)CCCCC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide?
The InChIKey is TYZZHOWFOOIQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2S/c19-14-17(6-10-23-11-7-17)16(22)20-15-18(4-2-1-3-5-18)21-8-12-24-13-9-21/h1-15,19H2,(H,20,22).
What are the key properties of 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide has a molecular weight of 355.55 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120941832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).