N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide

C10H20ClNO3S — CID 106129452

IUPACN-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20ClNO3S/c1-8(11)6-5-7-12-9(13)10(2,3)16(4,14)15/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCNIANBVNNIEWJP-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.33
Rot. Bonds6

About N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide

N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide (PubChem CID 106129452) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
PubChem CID106129452
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide
SMILESCC(Cl)CCCNC(=O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H20ClNO3S/c1-8(11)6-5-7-12-9(13)10(2,3)16(4,14)15/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyCNIANBVNNIEWJP-UHFFFAOYSA-N
XLogP1.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.33
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-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106156757
N-(3-iodopropyl)-2-methyl-2-methylsulfonylpropanamide
CID 114504386
2-methyl-N-[2-(methylamino)propyl]-2-methylsulfonylpropanamide
CID 103512686
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
N-(3-bromo-2,2-dimethylpropyl)-2-methyl-2-methylsulfonylpropanamide
CID 115364914
2-hydroxy-2-methyl-N-(4-methylpentyl)propanamide
CID 104936584
4,4-dimethyl-6-[(2-methyl-2-methylsulfonylpropanoyl)amino]hexanoic acid
CID 65284262
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
N-(1-chloro-3-methylbutan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 114305435
N-(4-chloropentyl)-3,3-dimethylbutane-1-sulfonamide
CID 106135546
2-cyano-N-(4-hydroxypentyl)-2-methylpropanamide
CID 107299932
N-(5-bromo-4-methylpentyl)-2,2-dimethylbutanamide
CID 106157342

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide (CID 106129452) is N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide is CC(Cl)CCCNC(=O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is CNIANBVNNIEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-8(11)6-5-7-12-9(13)10(2,3)16(4,14)15/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide?
N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 269.79 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 106129452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).