N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine

C11H23ClN2O2S — CID 55187832

IUPACN-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine
SMILESCC(C)N(C)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)13(3)17(15,16)14(9-8-12)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyVDHCPKBBMNANAM-UHFFFAOYSA-N
MW282.84 g/mol
LogP2.05
Rot. Bonds6

About N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine

N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine (PubChem CID 55187832) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine
PubChem CID55187832
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine
SMILESCC(C)N(C)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-10(2)13(3)17(15,16)14(9-8-12)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3
InChIKeyVDHCPKBBMNANAM-UHFFFAOYSA-N
XLogP2.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine (CID 55187832) is N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine is CC(C)N(C)S(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine?
The InChIKey is VDHCPKBBMNANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-10(2)13(3)17(15,16)14(9-8-12)11-6-4-5-7-11/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine?
N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine has a molecular weight of 282.84 g/mol, XLogP of 2.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[methyl(propan-2-yl)sulfamoyl]cyclopentanamine is sourced from PubChem (CID 55187832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).