N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide

C11H20ClNO2S — CID 103970028

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCCC1)C1CC1
InChIInChI=1S/C11H20ClNO2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9H2
InChIKeyRFUIZLXWOXDULO-UHFFFAOYSA-N
MW265.81 g/mol
LogP2.26
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide

N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide (PubChem CID 103970028) has the molecular formula C11H20ClNO2S and a molecular weight of 265.81 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
PubChem CID103970028
Molecular FormulaC11H20ClNO2S
Molecular Weight265.81 g/mol
Exact Mass265.09
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCCC1)C1CC1
InChIInChI=1S/C11H20ClNO2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9H2
InChIKeyRFUIZLXWOXDULO-UHFFFAOYSA-N
XLogP2.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.81
LogP ≤ 52.26
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

N-[[1-(aminomethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970367
1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
CID 103970058
N-[[1-(aminomethyl)cyclopropyl]methyl]cyclopentanesulfonamide
CID 105361881
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-[(1-aminocyclopropyl)methyl]cyclopropanesulfonamide
CID 165466108
1-[(cyclohexylsulfonylamino)methyl]cycloheptane-1-carboxylic acid
CID 115443542
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[1-(chloromethyl)cyclohexyl]cyclopentanesulfonamide
CID 105361716
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
N-[[1-[ethyl(methyl)amino]cyclopentyl]methyl]cyclopropanesulfonamide
CID 131908038
N-[[1-(2-bromoethyl)cyclopropyl]methyl]oxane-4-sulfonamide
CID 114758693
N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
CID 120874307

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide (CID 103970028) is N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide is O=S(=O)(NCC1(CCl)CCCCC1)C1CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
The InChIKey is RFUIZLXWOXDULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClNO2S/c12-8-11(6-2-1-3-7-11)9-13-16(14,15)10-4-5-10/h10,13H,1-9H2.
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide has a molecular weight of 265.81 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 103970028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).