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

C18H22N2O3S — CID 28820776

IUPACphenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-14(19-18(21)23-15-6-3-2-4-7-15)17(16-8-5-13-24-16)20-9-11-22-12-10-20/h2-8,13-14,17H,9-12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyVOHNDJJOUBPZPU-YOEHRIQHSA-N
MW346.45 g/mol
LogP3.30
Rot. Bonds5

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

phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate (PubChem CID 28820776) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
PubChem CID28820776
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Namephenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate
SMILESC[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCOCC1
InChIInChI=1S/C18H22N2O3S/c1-14(19-18(21)23-15-6-3-2-4-7-15)17(16-8-5-13-24-16)20-9-11-22-12-10-20/h2-8,13-14,17H,9-12H2,1H3,(H,19,21)/t14-,17-/m0/s1
InChIKeyVOHNDJJOUBPZPU-YOEHRIQHSA-N
XLogP3.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)carbamate
CID 3239939
phenyl N-[1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]carbamate
CID 6710506
2,2-dimethyl-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]propanamide
CID 7110530
2-methoxy-N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)benzamide
CID 3238588
4-ethoxy-N-[(1R,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110616
4-ethoxy-N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzamide
CID 7110612
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]furan-2-carboxamide
CID 29181274
N-(1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 3241321
phenyl N-(1-thiophen-2-ylethyl)carbamate
CID 60629917
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842
1-(4-chlorophenyl)-3-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]urea
CID 7111013

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate?
The IUPAC name of phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate (CID 28820776) is phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate.
What is the SMILES notation for phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate?
The canonical SMILES for phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate is C[C@H](NC(=O)Oc1ccccc1)[C@@H](c1cccs1)N1CCOCC1.
What is the InChIKey of phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate?
The InChIKey is VOHNDJJOUBPZPU-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14(19-18(21)23-15-6-3-2-4-7-15)17(16-8-5-13-24-16)20-9-11-22-12-10-20/h2-8,13-14,17H,9-12H2,1H3,(H,19,21)/t14-,17-/m0/s1.
What are the key properties of phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate?
phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate has a molecular weight of 346.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]carbamate is sourced from PubChem (CID 28820776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).