N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide

C6H14BrNO3S — CID 114294443

IUPACN-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)CBr
InChIInChI=1S/C6H14BrNO3S/c1-6(5-7)8-12(9,10)4-3-11-2/h6,8H,3-5H2,1-2H3
InChIKeyFARZNIOETWQZJX-UHFFFAOYSA-N
MW260.15 g/mol
LogP0.34
Rot. Bonds6

About N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide

N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide (PubChem CID 114294443) has the molecular formula C6H14BrNO3S and a molecular weight of 260.15 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
PubChem CID114294443
Molecular FormulaC6H14BrNO3S
Molecular Weight260.15 g/mol
Exact Mass258.99
IUPAC NameN-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC(C)CBr
InChIInChI=1S/C6H14BrNO3S/c1-6(5-7)8-12(9,10)4-3-11-2/h6,8H,3-5H2,1-2H3
InChIKeyFARZNIOETWQZJX-UHFFFAOYSA-N
XLogP0.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-methoxyethanesulfonamide
CID 64722345
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
N-(4-bromobutan-2-yl)-2-ethoxyethanesulfonamide
CID 83179051
N-[4-(4-bromophenyl)butan-2-yl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110628539
N-(1-chloro-4-methylpentan-2-yl)-2-methoxyethanesulfonamide
CID 65030939
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 64603456
N-(1-amino-4-methylpentan-3-yl)-2-methoxyethanesulfonamide
CID 106357397
N-butan-2-yl-2-ethoxyethanesulfonamide
CID 62732367
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
N-(1-bromo-3-methylbutan-2-yl)-2-ethoxyethanesulfonamide
CID 114294798
3-methoxy-N-pent-4-yn-2-ylpropane-1-sulfonamide
CID 115662705
2-methoxy-N-(1-phenylethyl)ethanesulfonamide
CID 71683981

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide (CID 114294443) is N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC(C)CBr.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide?
The InChIKey is FARZNIOETWQZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14BrNO3S/c1-6(5-7)8-12(9,10)4-3-11-2/h6,8H,3-5H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide?
N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide has a molecular weight of 260.15 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 114294443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).