1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane

C12H25ClN2O2S — CID 103970058

IUPAC1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C12H25ClN2O2S/c1-3-15(4-2)18(16,17)14-11-12(10-13)8-6-5-7-9-12/h14H,3-11H2,1-2H3
InChIKeyAPCMOXPCINZLHL-UHFFFAOYSA-N
MW296.86 g/mol
LogP2.35
Rot. Bonds7

About 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane

1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane (PubChem CID 103970058) has the molecular formula C12H25ClN2O2S and a molecular weight of 296.86 g/mol. Its IUPAC name is 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane.

Molecular Properties

Compound Name1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
PubChem CID103970058
Molecular FormulaC12H25ClN2O2S
Molecular Weight296.86 g/mol
Exact Mass296.13
IUPAC Name1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane
SMILESCCN(CC)S(=O)(=O)NCC1(CCl)CCCCC1
InChIInChI=1S/C12H25ClN2O2S/c1-3-15(4-2)18(16,17)14-11-12(10-13)8-6-5-7-9-12/h14H,3-11H2,1-2H3
InChIKeyAPCMOXPCINZLHL-UHFFFAOYSA-N
XLogP2.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.86
LogP ≤ 52.35
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

1-[(diethylsulfamoylamino)methyl]-1-(hydroxymethyl)cyclopentane
CID 113294525
1-[(diethylsulfamoylamino)methyl]-1-(dimethylamino)cycloheptane
CID 34249483
1-(aminomethyl)-1-[(diethylsulfamoylamino)methyl]cyclopropane
CID 115456937
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanesulfonamide
CID 103970028
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-ethoxyethanesulfonamide
CID 103970051
1-[(dipropylsulfamoylamino)methyl]-1-hydroxycycloheptane
CID 65122112
3-[(diethylsulfamoylamino)methyl]-3-methylpiperidine;hydrochloride
CID 120720872
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrazole-3-sulfonamide
CID 113444051
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methylthiophene-2-sulfonamide
CID 103970067
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylpropane-2-sulfonamide
CID 115456682
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 103970083
N-[[1-(bromomethyl)cyclohexyl]methyl]ethanesulfonamide
CID 103969950

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane?
The IUPAC name of 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane (CID 103970058) is 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane.
What is the SMILES notation for 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane?
The canonical SMILES for 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane is CCN(CC)S(=O)(=O)NCC1(CCl)CCCCC1.
What is the InChIKey of 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane?
The InChIKey is APCMOXPCINZLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25ClN2O2S/c1-3-15(4-2)18(16,17)14-11-12(10-13)8-6-5-7-9-12/h14H,3-11H2,1-2H3.
What are the key properties of 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane?
1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane has a molecular weight of 296.86 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-[(diethylsulfamoylamino)methyl]cyclohexane is sourced from PubChem (CID 103970058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).