N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide

C12H17ClN2O2S — CID 75483154

IUPACN-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-7-14-12(5-6-12)10-3-2-4-11(13)9-10/h2-4,9,14-15H,5-8H2,1H3
InChIKeySCCJCZAHGQNOQI-UHFFFAOYSA-N
MW288.80 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide

N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide (PubChem CID 75483154) has the molecular formula C12H17ClN2O2S and a molecular weight of 288.80 g/mol. Its IUPAC name is N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide
PubChem CID75483154
Molecular FormulaC12H17ClN2O2S
Molecular Weight288.80 g/mol
Exact Mass288.07
IUPAC NameN-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNC1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-7-14-12(5-6-12)10-3-2-4-11(13)9-10/h2-4,9,14-15H,5-8H2,1H3
InChIKeySCCJCZAHGQNOQI-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide (CID 75483154) is N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNC1(c2cccc(Cl)c2)CC1.
What is the InChIKey of N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide?
The InChIKey is SCCJCZAHGQNOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2S/c1-18(16,17)15-8-7-14-12(5-6-12)10-3-2-4-11(13)9-10/h2-4,9,14-15H,5-8H2,1H3.
What are the key properties of N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide?
N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide has a molecular weight of 288.80 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-chlorophenyl)cyclopropyl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 75483154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).