N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide

C10H20ClNO3S — CID 115456635

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1(CCl)CC1
InChIInChI=1S/C10H20ClNO3S/c1-9(2)15-5-6-16(13,14)12-8-10(7-11)3-4-10/h9,12H,3-8H2,1-2H3
InChIKeyYQMAKZIGQIKMEK-UHFFFAOYSA-N
MW269.79 g/mol
LogP1.35
Rot. Bonds8

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 115456635) has the molecular formula C10H20ClNO3S and a molecular weight of 269.79 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID115456635
Molecular FormulaC10H20ClNO3S
Molecular Weight269.79 g/mol
Exact Mass269.09
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCC(C)OCCS(=O)(=O)NCC1(CCl)CC1
InChIInChI=1S/C10H20ClNO3S/c1-9(2)15-5-6-16(13,14)12-8-10(7-11)3-4-10/h9,12H,3-8H2,1-2H3
InChIKeyYQMAKZIGQIKMEK-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.79
LogP ≤ 51.35
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-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594392
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
CID 115456682
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
N-[(2-chlorocyclopentyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79600521
2-(2-aminoethoxy)-N-[(1-propylcyclopropyl)methyl]ethanesulfonamide
CID 112751637

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide (CID 115456635) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide is CC(C)OCCS(=O)(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is YQMAKZIGQIKMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO3S/c1-9(2)15-5-6-16(13,14)12-8-10(7-11)3-4-10/h9,12H,3-8H2,1-2H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 269.79 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 115456635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).