N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide

C17H28N4O3S — CID 42395024

IUPACN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide
SMILESCN(c1ncccc1CNS(=O)(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H28N4O3S/c1-20(16-7-3-2-4-8-16)17-15(6-5-9-18-17)14-19-25(22,23)21-10-12-24-13-11-21/h5-6,9,16,19H,2-4,7-8,10-14H2,1H3
InChIKeyDEPMJIYZETVPON-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.52
Rot. Bonds6

About N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide

N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide (PubChem CID 42395024) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide
PubChem CID42395024
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC NameN-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide
SMILESCN(c1ncccc1CNS(=O)(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C17H28N4O3S/c1-20(16-7-3-2-4-8-16)17-15(6-5-9-18-17)14-19-25(22,23)21-10-12-24-13-11-21/h5-6,9,16,19H,2-4,7-8,10-14H2,1H3
InChIKeyDEPMJIYZETVPON-UHFFFAOYSA-N
XLogP1.52
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
N-cyclohexyl-6-morpholino-3-pyridinesulfonamide
CID 2738739
N-benzyl-N-methyl-6-morpholino-3-pyridinesulfonamide
CID 2738750
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 44157583
5-(4,6-Dimorpholino-1,3,5-triazin-2-yl)pyridin-2-amine
CID 46202650
1-ethyl-3-[4-[4-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl]phenyl]urea
CID 53380858
5-(4,6-Dimorpholin-4-yl-1,3,5-triazin-2-yl)-4-methylpyridin-2-amine
CID 58508310
1-Hydroxy-4-(4-morpholinoanilino)pyrido[2,3-d]pyrimidin-2-one
CID 90645175
US10392376, Example 66
CID 137417723
US11091488, Example 78
CID 129187357
[2-(Morpholin-4-yl)pyridin-4-yl]methanamine
CID 7537568
(2-(Morpholin-4-yl)pyridin-3-yl)methanamine
CID 16790303

Frequently Asked Questions

What is the IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide (CID 42395024) is N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide is CN(c1ncccc1CNS(=O)(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide?
The InChIKey is DEPMJIYZETVPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-20(16-7-3-2-4-8-16)17-15(6-5-9-18-17)14-19-25(22,23)21-10-12-24-13-11-21/h5-6,9,16,19H,2-4,7-8,10-14H2,1H3.
What are the key properties of N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide?
N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide has a molecular weight of 368.50 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[cyclohexyl(methyl)amino]-3-pyridinyl]methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 42395024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).