N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine

C12H24ClNO2S — CID 106365038

IUPACN-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCNC1CCCC1CCl
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)17(15,16)8-7-14-11-6-4-5-10(11)9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyTWGUPYISJJBKRF-UHFFFAOYSA-N
MW281.85 g/mol
LogP2.20
Rot. Bonds5

About N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine

N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine (PubChem CID 106365038) has the molecular formula C12H24ClNO2S and a molecular weight of 281.85 g/mol. Its IUPAC name is N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
PubChem CID106365038
Molecular FormulaC12H24ClNO2S
Molecular Weight281.85 g/mol
Exact Mass281.12
IUPAC NameN-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine
SMILESCC(C)(C)S(=O)(=O)CCNC1CCCC1CCl
InChIInChI=1S/C12H24ClNO2S/c1-12(2,3)17(15,16)8-7-14-11-6-4-5-10(11)9-13/h10-11,14H,4-9H2,1-3H3
InChIKeyTWGUPYISJJBKRF-UHFFFAOYSA-N
XLogP2.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.85
LogP ≤ 52.20
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-(2-tert-butylsulfonylethyl)cyclopentanamine
CID 115625751
2-(chloromethyl)-N-(3-methoxypropyl)cyclopentan-1-amine
CID 106364907
2-(chloromethyl)-N-(2-ethylsulfanylethyl)cyclopentan-1-amine
CID 106365119
2-(chloromethyl)-N-(2-fluoroethyl)cyclohexan-1-amine
CID 106365146
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
N-(2-tert-butylsulfonylethyl)-2-morpholin-3-ylcyclopentan-1-amine;hydrochloride
CID 120916306
N-(2-tert-butylsulfonylethyl)-1,3-dimethylpiperidin-4-amine
CID 103902206
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]cyclopropanamine
CID 106735497
[2-(2-propylsulfonylethylamino)cyclopentyl]methanol
CID 106360883
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
CID 106367782
N-[[2-(2-tert-butylsulfonylethyl)cyclopentyl]methyl]ethanamine
CID 106735488
2-(chloromethyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclohexan-1-amine
CID 106365344

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine?
The IUPAC name of N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine (CID 106365038) is N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine.
What is the SMILES notation for N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine?
The canonical SMILES for N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine is CC(C)(C)S(=O)(=O)CCNC1CCCC1CCl.
What is the InChIKey of N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine?
The InChIKey is TWGUPYISJJBKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClNO2S/c1-12(2,3)17(15,16)8-7-14-11-6-4-5-10(11)9-13/h10-11,14H,4-9H2,1-3H3.
What are the key properties of N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine?
N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine has a molecular weight of 281.85 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfonylethyl)-2-(chloromethyl)cyclopentan-1-amine is sourced from PubChem (CID 106365038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).