N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide

C9H18N2O4S — CID 95377113

IUPACN-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-/m0/s1
InChIKeyCHOHRZCXAFPVPJ-ZETCQYMHSA-N
MW250.32 g/mol
LogP-0.97
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide

N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide (PubChem CID 95377113) has the molecular formula C9H18N2O4S and a molecular weight of 250.32 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide
PubChem CID95377113
Molecular FormulaC9H18N2O4S
Molecular Weight250.32 g/mol
Exact Mass250.10
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide
SMILESCOC[C@H](C)NC(=O)C1CN(S(C)(=O)=O)C1
InChIInChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-/m0/s1
InChIKeyCHOHRZCXAFPVPJ-ZETCQYMHSA-N
XLogP-0.97
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide (CID 95377113) is N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide is COC[C@H](C)NC(=O)C1CN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide?
The InChIKey is CHOHRZCXAFPVPJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O4S/c1-7(6-15-2)10-9(12)8-4-11(5-8)16(3,13)14/h7-8H,4-6H2,1-3H3,(H,10,12)/t7-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide?
N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide has a molecular weight of 250.32 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonylazetidine-3-carboxamide is sourced from PubChem (CID 95377113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).