N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide

C12H25N3O3S — CID 28940698

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11-2-4-12(10-13,5-3-11)14-19(16,17)15-6-8-18-9-7-15/h11,14H,2-10,13H2,1H3
InChIKeyWKINNNRRVGOZIA-UHFFFAOYSA-N
MW291.42 g/mol
LogP0.06
Rot. Bonds4

About N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide (PubChem CID 28940698) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide
PubChem CID28940698
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide
SMILESCC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H25N3O3S/c1-11-2-4-12(10-13,5-3-11)14-19(16,17)15-6-8-18-9-7-15/h11,14H,2-10,13H2,1H3
InChIKeyWKINNNRRVGOZIA-UHFFFAOYSA-N
XLogP0.06
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide (CID 28940698) is N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide is CC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide?
The InChIKey is WKINNNRRVGOZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-11-2-4-12(10-13,5-3-11)14-19(16,17)15-6-8-18-9-7-15/h11,14H,2-10,13H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide has a molecular weight of 291.42 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide is sourced from PubChem (CID 28940698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).