N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide

C16H31N3O3S — CID 30667251

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCC1
InChIInChI=1S/C16H31N3O3S/c20-23(21,19-9-5-2-6-10-19)17-15-16(7-3-1-4-8-16)18-11-13-22-14-12-18/h17H,1-15H2
InChIKeyTWUXJSGKVBQEPR-UHFFFAOYSA-N
MW345.51 g/mol
LogP1.34
Rot. Bonds5

About N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide

N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide (PubChem CID 30667251) has the molecular formula C16H31N3O3S and a molecular weight of 345.51 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide
PubChem CID30667251
Molecular FormulaC16H31N3O3S
Molecular Weight345.51 g/mol
Exact Mass345.21
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCC1
InChIInChI=1S/C16H31N3O3S/c20-23(21,19-9-5-2-6-10-19)17-15-16(7-3-1-4-8-16)18-11-13-22-14-12-18/h17H,1-15H2
InChIKeyTWUXJSGKVBQEPR-UHFFFAOYSA-N
XLogP1.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide (CID 30667251) is N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide is O=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide?
The InChIKey is TWUXJSGKVBQEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3S/c20-23(21,19-9-5-2-6-10-19)17-15-16(7-3-1-4-8-16)18-11-13-22-14-12-18/h17H,1-15H2.
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide has a molecular weight of 345.51 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ylcyclohexyl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 30667251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).