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

C17H33N3O3S — CID 30135931

IUPACN-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCCC1
InChIInChI=1S/C17H33N3O3S/c21-24(22,20-10-6-1-2-7-11-20)18-16-17(8-4-3-5-9-17)19-12-14-23-15-13-19/h18H,1-16H2
InChIKeyYCHXJNKCGJPQEI-UHFFFAOYSA-N
MW359.54 g/mol
LogP1.73
Rot. Bonds5

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

N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide (PubChem CID 30135931) has the molecular formula C17H33N3O3S and a molecular weight of 359.54 g/mol. Its IUPAC name is N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide
PubChem CID30135931
Molecular FormulaC17H33N3O3S
Molecular Weight359.54 g/mol
Exact Mass359.22
IUPAC NameN-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide
SMILESO=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCCC1
InChIInChI=1S/C17H33N3O3S/c21-24(22,20-10-6-1-2-7-11-20)18-16-17(8-4-3-5-9-17)19-12-14-23-15-13-19/h18H,1-16H2
InChIKeyYCHXJNKCGJPQEI-UHFFFAOYSA-N
XLogP1.73
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 51.73
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]azepane-1-sulfonamide?
The IUPAC name of N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide (CID 30135931) is N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide.
What is the SMILES notation for N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide?
The canonical SMILES for N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide is O=S(=O)(NCC1(N2CCOCC2)CCCCC1)N1CCCCCC1.
What is the InChIKey of N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide?
The InChIKey is YCHXJNKCGJPQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O3S/c21-24(22,20-10-6-1-2-7-11-20)18-16-17(8-4-3-5-9-17)19-12-14-23-15-13-19/h18H,1-16H2.
What are the key properties of N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide?
N-[(1-morpholin-4-ylcyclohexyl)methyl]azepane-1-sulfonamide has a molecular weight of 359.54 g/mol, XLogP of 1.73, 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]azepane-1-sulfonamide is sourced from PubChem (CID 30135931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).