N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide

C11H22BrNO3S — CID 106136142

IUPACN-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C11H22BrNO3S/c1-16-7-2-8-17(14,15)13-9-10-3-5-11(12)6-4-10/h10-11,13H,2-9H2,1H3
InChIKeyRESCVFRUVWQIGM-UHFFFAOYSA-N
MW328.27 g/mol
LogP1.90
Rot. Bonds7

About N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide

N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide (PubChem CID 106136142) has the molecular formula C11H22BrNO3S and a molecular weight of 328.27 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
PubChem CID106136142
Molecular FormulaC11H22BrNO3S
Molecular Weight328.27 g/mol
Exact Mass327.05
IUPAC NameN-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NCC1CCC(Br)CC1
InChIInChI=1S/C11H22BrNO3S/c1-16-7-2-8-17(14,15)13-9-10-3-5-11(12)6-4-10/h10-11,13H,2-9H2,1H3
InChIKeyRESCVFRUVWQIGM-UHFFFAOYSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromocyclopentyl)methyl]-2-ethoxyethanesulfonamide
CID 106135009
3-amino-N-(cyclopropylmethyl)propane-1-sulfonamide
CID 60909819
3-methoxy-N-[(4-methylpiperidin-3-yl)methyl]propane-1-sulfonamide
CID 114955853
N-[(2-bromocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 114297606
N-(cyanomethyl)-3-methoxypropane-1-sulfonamide
CID 63290412
4-cyano-N-(cyclopropylmethyl)butane-1-sulfonamide
CID 56541451
N-(4-aminocyclohexyl)-3-methoxypropane-1-sulfonamide
CID 63290314
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
N-(6-bromohexyl)-3-methoxypropane-1-sulfonamide
CID 107848783
2-methoxy-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]ethanesulfonamide
CID 110309147
N-[[4-(bromomethyl)phenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 107233984
4-(cyclopropylamino)-N-(4-methoxybutyl)butane-1-sulfonamide
CID 106054130

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide (CID 106136142) is N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NCC1CCC(Br)CC1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is RESCVFRUVWQIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BrNO3S/c1-16-7-2-8-17(14,15)13-9-10-3-5-11(12)6-4-10/h10-11,13H,2-9H2,1H3.
What are the key properties of N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide?
N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 328.27 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 106136142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).