N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine

C11H22ClNO2S — CID 106121423

IUPACN-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCNCC1CCC(Cl)C1
InChIInChI=1S/C11H22ClNO2S/c1-9(2)16(14,15)6-5-13-8-10-3-4-11(12)7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyRVDCCEZMVZBNFA-UHFFFAOYSA-N
MW267.82 g/mol
LogP1.81
Rot. Bonds6

About N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine

N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine (PubChem CID 106121423) has the molecular formula C11H22ClNO2S and a molecular weight of 267.82 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
PubChem CID106121423
Molecular FormulaC11H22ClNO2S
Molecular Weight267.82 g/mol
Exact Mass267.11
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine
SMILESCC(C)S(=O)(=O)CCNCC1CCC(Cl)C1
InChIInChI=1S/C11H22ClNO2S/c1-9(2)16(14,15)6-5-13-8-10-3-4-11(12)7-10/h9-11,13H,3-8H2,1-2H3
InChIKeyRVDCCEZMVZBNFA-UHFFFAOYSA-N
XLogP1.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.82
LogP ≤ 51.81
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-[(1-methylpiperidin-4-yl)methyl]-2-propan-2-ylsulfonylethanamine
CID 106723502
N-[(3-chlorocyclopentyl)methyl]methanesulfonamide
CID 106135282
N-[(3-chlorocyclopentyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 106121063
2-propan-2-ylsulfonyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 106723973
2-butan-2-ylsulfonyl-N-(cyclopentylmethyl)ethanamine
CID 106512704
2-chloro-3-methyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106731318
N-[(3-chlorocyclopentyl)methyl]-1-cyclohexylmethanamine
CID 106121204
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N-[(3-chlorocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 106121284
N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
N-methyl-3-(2-propan-2-ylsulfonylethylamino)propanamide
CID 106723531

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine (CID 106121423) is N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine is CC(C)S(=O)(=O)CCNCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
The InChIKey is RVDCCEZMVZBNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO2S/c1-9(2)16(14,15)6-5-13-8-10-3-4-11(12)7-10/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine?
N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine has a molecular weight of 267.82 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2-propan-2-ylsulfonylethanamine is sourced from PubChem (CID 106121423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).