N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide

C9H18ClNO2S — CID 115456682

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(CCl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3
InChIKeyNVKOSQPCCSFNNF-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.72
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide (PubChem CID 115456682) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
PubChem CID115456682
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NCC1(CCl)CC1
InChIInChI=1S/C9H18ClNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3
InChIKeyNVKOSQPCCSFNNF-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-tert-butylsulfonyl-N-[[1-(chloromethyl)cyclopropyl]methyl]ethanamine
CID 106731237
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propan-2-yloxyethanesulfonamide
CID 115456635
N-[(1-aminocycloheptyl)methyl]-2-methylpropane-2-sulfonamide
CID 63689180
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-methylpropane-2-sulfonamide
CID 65121313
1-[(tert-butylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443536
1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
CID 103970058
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115456681
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
3,4-dichloro-N-[[1-(chloromethyl)cyclopropyl]methyl]benzenesulfonamide
CID 115456637
[1-[(tert-butylsulfamoylamino)methyl]cyclopropyl]methanol
CID 114809734
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,4,4-trimethylpentanamide
CID 115456181

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide (CID 115456682) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
The InChIKey is NVKOSQPCCSFNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClNO2S/c1-8(2,3)14(12,13)11-7-9(6-10)4-5-9/h11H,4-7H2,1-3H3.
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide has a molecular weight of 239.77 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 115456682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).