5-tert-butylsulfonyl-1-chloro-2-methylpentane

C10H21ClO2S — CID 106732552

IUPAC5-tert-butylsulfonyl-1-chloro-2-methylpentane
SMILESCC(CCl)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21ClO2S/c1-9(8-11)6-5-7-14(12,13)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyNOZPPTCAGHEDDZ-UHFFFAOYSA-N
MW240.80 g/mol
LogP2.85
Rot. Bonds5

About 5-tert-butylsulfonyl-1-chloro-2-methylpentane

5-tert-butylsulfonyl-1-chloro-2-methylpentane (PubChem CID 106732552) has the molecular formula C10H21ClO2S and a molecular weight of 240.80 g/mol. Its IUPAC name is 5-tert-butylsulfonyl-1-chloro-2-methylpentane.

Molecular Properties

Compound Name5-tert-butylsulfonyl-1-chloro-2-methylpentane
PubChem CID106732552
Molecular FormulaC10H21ClO2S
Molecular Weight240.80 g/mol
Exact Mass240.10
IUPAC Name5-tert-butylsulfonyl-1-chloro-2-methylpentane
SMILESCC(CCl)CCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21ClO2S/c1-9(8-11)6-5-7-14(12,13)10(2,3)4/h9H,5-8H2,1-4H3
InChIKeyNOZPPTCAGHEDDZ-UHFFFAOYSA-N
XLogP2.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-methyl-6-methylsulfonylhexane
CID 64666944
4-bromo-1-tert-butylsulfonylhexane
CID 106729129
(1-bromo-4-tert-butylsulfonylbutyl)benzene
CID 106729114
5-tert-butylsulfonyl-4-methylpentan-1-amine
CID 87931472
6-tert-butylsulfonyl-4-methylhexan-2-ol
CID 106732458
N-(5-chloro-4-methylpentyl)-2-methoxyethanesulfonamide
CID 106158927
N-(5-chloro-4-methylpentyl)-3-methylbutane-1-sulfonamide
CID 106158943
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-(5-chloro-4-methylpentyl)-2-methyl-2-methylsulfonylpropanamide
CID 106156757
3-tert-butylsulfonylpropoxy(trimethyl)silane
CID 12020598
4-tert-butylsulfonyl-1-cyclopropyl-N-methylbutan-1-amine
CID 106727298
1-tert-butylsulfonyl-N-propylheptan-4-amine
CID 106727136

Frequently Asked Questions

What is the IUPAC name of 5-tert-butylsulfonyl-1-chloro-2-methylpentane?
The IUPAC name of 5-tert-butylsulfonyl-1-chloro-2-methylpentane (CID 106732552) is 5-tert-butylsulfonyl-1-chloro-2-methylpentane.
What is the SMILES notation for 5-tert-butylsulfonyl-1-chloro-2-methylpentane?
The canonical SMILES for 5-tert-butylsulfonyl-1-chloro-2-methylpentane is CC(CCl)CCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of 5-tert-butylsulfonyl-1-chloro-2-methylpentane?
The InChIKey is NOZPPTCAGHEDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21ClO2S/c1-9(8-11)6-5-7-14(12,13)10(2,3)4/h9H,5-8H2,1-4H3.
What are the key properties of 5-tert-butylsulfonyl-1-chloro-2-methylpentane?
5-tert-butylsulfonyl-1-chloro-2-methylpentane has a molecular weight of 240.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylsulfonyl-1-chloro-2-methylpentane is sourced from PubChem (CID 106732552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).