N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C17H22N2O3S2 — CID 7110842

IUPACN-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3/t14-,17-/m0/s1
InChIKeyKMYYBAQGVMPUSS-YOEHRIQHSA-N
MW366.51 g/mol
LogP2.49
Rot. Bonds6

About N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 7110842) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID7110842
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3/t14-,17-/m0/s1
InChIKeyKMYYBAQGVMPUSS-YOEHRIQHSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
4-bromo-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889010
4-fluoro-N-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110860
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 7110868
4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889057
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 5310496
4-nitro-N-[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889062
4-chloro-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7099199
4-chloro-N-[(1R,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]benzenesulfonamide
CID 2328593
phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
CID 28820776
4-chloro-N-[(1S,2S)-1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30622327

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 7110842) is N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is KMYYBAQGVMPUSS-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-14(18-24(20,21)15-6-3-2-4-7-15)17(16-8-5-13-23-16)19-9-11-22-12-10-19/h2-8,13-14,17-18H,9-12H2,1H3/t14-,17-/m0/s1.
What are the key properties of N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 366.51 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 7110842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).