1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane

C10H21ClO2S — CID 107747028

IUPAC1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane
SMILESCC(C)C(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H21ClO2S/c1-9(2)10(3)14(12,13)8-6-4-5-7-11/h9-10H,4-8H2,1-3H3
InChIKeyKKCTXLRYRQOPQH-UHFFFAOYSA-N
MW240.80 g/mol
LogP2.85
Rot. Bonds7

About 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane

1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane (PubChem CID 107747028) has the molecular formula C10H21ClO2S and a molecular weight of 240.80 g/mol. Its IUPAC name is 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane.

Molecular Properties

Compound Name1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane
PubChem CID107747028
Molecular FormulaC10H21ClO2S
Molecular Weight240.80 g/mol
Exact Mass240.10
IUPAC Name1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane
SMILESCC(C)C(C)S(=O)(=O)CCCCCCl
InChIInChI=1S/C10H21ClO2S/c1-9(2)10(3)14(12,13)8-6-4-5-7-11/h9-10H,4-8H2,1-3H3
InChIKeyKKCTXLRYRQOPQH-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-chloro-5-propan-2-ylsulfonylpentane
CID 60872499
6-(3-methylbutan-2-ylsulfonyl)hexanoic acid
CID 107746651
1-chloro-5-(2-methylpropylsulfonyl)pentane
CID 43444500
2,2-dimethyl-5-(3-methylbutan-2-ylsulfonyl)pentanenitrile
CID 103721391
4-chloro-N-(2-cyanopropyl)-N-ethylbutane-1-sulfonamide
CID 116815412
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
CID 107757362
4-chloro-N-(2-methylpropyl)-N-pentan-3-ylbutane-1-sulfonamide
CID 79488616
3-pentylsulfonylbutan-2-amine
CID 107758703
4-chlorobutane-1-sulfonamide
CID 18461
1-propan-2-ylsulfonylhexane
CID 59079246
1-chloro-6-(3-methoxypropylsulfonyl)hexane
CID 63857365
1-chloro-4-(2-methylsulfonylethylsulfonyl)butane
CID 63658641

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane?
The IUPAC name of 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane (CID 107747028) is 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane.
What is the SMILES notation for 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane?
The canonical SMILES for 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane is CC(C)C(C)S(=O)(=O)CCCCCCl.
What is the InChIKey of 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane?
The InChIKey is KKCTXLRYRQOPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2S/c1-9(2)10(3)14(12,13)8-6-4-5-7-11/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane?
1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane has a molecular weight of 240.80 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-(3-methylbutan-2-ylsulfonyl)pentane is sourced from PubChem (CID 107747028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).