N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide

C10H20BrNO3S — CID 107205893

IUPACN-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)CCCCCBr)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-9(16(3,14)15)10(13)12(2)8-6-4-5-7-11/h9H,4-8H2,1-3H3
InChIKeyRZPHKSHPCJSXGD-UHFFFAOYSA-N
MW314.25 g/mol
LogP1.44
Rot. Bonds7

About N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide

N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide (PubChem CID 107205893) has the molecular formula C10H20BrNO3S and a molecular weight of 314.25 g/mol. Its IUPAC name is N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide
PubChem CID107205893
Molecular FormulaC10H20BrNO3S
Molecular Weight314.25 g/mol
Exact Mass313.03
IUPAC NameN-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide
SMILESCC(C(=O)N(C)CCCCCBr)S(C)(=O)=O
InChIInChI=1S/C10H20BrNO3S/c1-9(16(3,14)15)10(13)12(2)8-6-4-5-7-11/h9H,4-8H2,1-3H3
InChIKeyRZPHKSHPCJSXGD-UHFFFAOYSA-N
XLogP1.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-(2-bromoethyl)-2-methylsulfonyl-N-propan-2-ylpropanamide
CID 104522292
N-(2-bromoethyl)-N-cyclopropyl-2-methylsulfonylpropanamide
CID 104522298
5-bromo-N-(5-hydroxypentyl)-N-methylpentanamide
CID 107910777
N-(2-bromo-3-methoxypropyl)-N-methyl-2-methylsulfonylpropanamide
CID 104522307
N-(5-bromopentyl)-N-methylbenzamide
CID 10356494
N-(5-bromopentyl)-N-methyl-4-propan-2-yloxybenzamide
CID 107206141
N,N-bis(2-hydroxyethyl)-2-methylsulfonylpropanamide
CID 115772414
N-(5-bromopentyl)-N,4-dimethylbenzamide
CID 107206029
tert-butyl N-(9-bromononyl)-N-methylcarbamate
CID 166638484
N,N-bis(2-chloroethyl)-2-methylsulfonylpropanamide
CID 104520204
(2S)-2-amino-N-(5-hydroxypentyl)-N-methylpropanamide
CID 107199234
N,2-dimethyl-N-(8-methylnonyl)propanamide
CID 161045695

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide (CID 107205893) is N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide is CC(C(=O)N(C)CCCCCBr)S(C)(=O)=O.
What is the InChIKey of N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide?
The InChIKey is RZPHKSHPCJSXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20BrNO3S/c1-9(16(3,14)15)10(13)12(2)8-6-4-5-7-11/h9H,4-8H2,1-3H3.
What are the key properties of N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide?
N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide has a molecular weight of 314.25 g/mol, XLogP of 1.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopentyl)-N-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 107205893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).