N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide

C16H23ClN2O2S — CID 125438156

IUPACN-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide
SMILESC[C@@H](CNS(=O)(=O)C1CC1)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-12(11-18-22(20,21)15-6-7-15)19-16(8-9-16)10-13-2-4-14(17)5-3-13/h2-5,12,15,18-19H,6-11H2,1H3/t12-/m0/s1
InChIKeyNNRZVFSWGAYXLE-LBPRGKRZSA-N
MW342.89 g/mol
LogP2.47
Rot. Bonds8

About N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide

N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide (PubChem CID 125438156) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide
PubChem CID125438156
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC NameN-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide
SMILESC[C@@H](CNS(=O)(=O)C1CC1)NC1(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O2S/c1-12(11-18-22(20,21)15-6-7-15)19-16(8-9-16)10-13-2-4-14(17)5-3-13/h2-5,12,15,18-19H,6-11H2,1H3/t12-/m0/s1
InChIKeyNNRZVFSWGAYXLE-LBPRGKRZSA-N
XLogP2.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide?
The IUPAC name of N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide (CID 125438156) is N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide?
The canonical SMILES for N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide is C[C@@H](CNS(=O)(=O)C1CC1)NC1(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide?
The InChIKey is NNRZVFSWGAYXLE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c1-12(11-18-22(20,21)15-6-7-15)19-16(8-9-16)10-13-2-4-14(17)5-3-13/h2-5,12,15,18-19H,6-11H2,1H3/t12-/m0/s1.
What are the key properties of N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide?
N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide has a molecular weight of 342.89 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[1-[(4-chlorophenyl)methyl]cyclopropyl]amino]propyl]cyclopropanesulfonamide is sourced from PubChem (CID 125438156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).