cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

C17H26N2O2S — CID 95271434

IUPACcis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C17H26N2O2S/c1-11-9-19(10-12(2)21-11)7-6-18-17(20)15-8-14(15)16-5-4-13(3)22-16/h4-5,11-12,14-15H,6-10H2,1-3H3,(H,18,20)/t11-,12+,14-,15+/m1/s1
InChIKeyLSBQQYJQLUHXIX-OSRDXIQISA-N
MW322.47 g/mol
LogP2.39
Rot. Bonds5

About cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (PubChem CID 95271434) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
PubChem CID95271434
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Namecis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)s1
InChIInChI=1S/C17H26N2O2S/c1-11-9-19(10-12(2)21-11)7-6-18-17(20)15-8-14(15)16-5-4-13(3)22-16/h4-5,11-12,14-15H,6-10H2,1-3H3,(H,18,20)/t11-,12+,14-,15+/m1/s1
InChIKeyLSBQQYJQLUHXIX-OSRDXIQISA-N
XLogP2.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide (CID 95271434) is cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C[C@@H](C)O[C@@H](C)C2)s1.
What is the InChIKey of cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
The InChIKey is LSBQQYJQLUHXIX-OSRDXIQISA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-11-9-19(10-12(2)21-11)7-6-18-17(20)15-8-14(15)16-5-4-13(3)22-16/h4-5,11-12,14-15H,6-10H2,1-3H3,(H,18,20)/t11-,12+,14-,15+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95271434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).