1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine

C17H33N3O3S — CID 50974135

IUPAC1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-24(21,22)20-9-5-16(6-10-20)18-15-17(7-3-2-4-8-17)19-11-13-23-14-12-19/h16,18H,2-15H2,1H3
InChIKeyBGVFXSXZDRHMKN-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.04
Rot. Bonds5

About 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine

1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine (PubChem CID 50974135) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine
PubChem CID50974135
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC Name1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine
SMILESCS(=O)(=O)N1CCC(NCC2(N3CCOCC3)CCCCC2)CC1
InChIInChI=1S/C17H33N3O3S/c1-24(21,22)20-9-5-16(6-10-20)18-15-17(7-3-2-4-8-17)19-11-13-23-14-12-19/h16,18H,2-15H2,1H3
InChIKeyBGVFXSXZDRHMKN-UHFFFAOYSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine?
The IUPAC name of 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine (CID 50974135) is 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine is CS(=O)(=O)N1CCC(NCC2(N3CCOCC3)CCCCC2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine?
The InChIKey is BGVFXSXZDRHMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c1-24(21,22)20-9-5-16(6-10-20)18-15-17(7-3-2-4-8-17)19-11-13-23-14-12-19/h16,18H,2-15H2,1H3.
What are the key properties of 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine?
1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine has a molecular weight of 359.54 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidin-4-amine is sourced from PubChem (CID 50974135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).