N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide

C15H24N2O2S2 — CID 97323688

IUPACN-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)NC[C@]2(C)CCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-12(17-11-15(2)9-4-10-20-15)13-5-7-14(8-6-13)21(18,19)16-3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyWEBDHZICZVAZMZ-DOMZBBRYSA-N
MW328.50 g/mol
LogP2.53
Rot. Bonds6

About N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide

N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide (PubChem CID 97323688) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
PubChem CID97323688
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc([C@@H](C)NC[C@]2(C)CCCS2)cc1
InChIInChI=1S/C15H24N2O2S2/c1-12(17-11-15(2)9-4-10-20-15)13-5-7-14(8-6-13)21(18,19)16-3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,15+/m1/s1
InChIKeyWEBDHZICZVAZMZ-DOMZBBRYSA-N
XLogP2.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide (CID 97323688) is N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide is CNS(=O)(=O)c1ccc([C@@H](C)NC[C@]2(C)CCCS2)cc1.
What is the InChIKey of N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide?
The InChIKey is WEBDHZICZVAZMZ-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-12(17-11-15(2)9-4-10-20-15)13-5-7-14(8-6-13)21(18,19)16-3/h5-8,12,16-17H,4,9-11H2,1-3H3/t12-,15+/m1/s1.
What are the key properties of N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide?
N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide has a molecular weight of 328.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1R)-1-[[(2S)-2-methylthiolan-2-yl]methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 97323688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).