N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine

C15H22N2O3S — CID 99833771

IUPACN-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(N[C@H](C)C3CC3)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(12-3-4-12)16-13-9-17(10-13)21(18,19)15-7-5-14(20-2)6-8-15/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyIRDMDJNEZPCHEV-LLVKDONJSA-N
MW310.42 g/mol
LogP1.46
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine

N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine (PubChem CID 99833771) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
PubChem CID99833771
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(N[C@H](C)C3CC3)C2)cc1
InChIInChI=1S/C15H22N2O3S/c1-11(12-3-4-12)16-13-9-17(10-13)21(18,19)15-7-5-14(20-2)6-8-15/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t11-/m1/s1
InChIKeyIRDMDJNEZPCHEV-LLVKDONJSA-N
XLogP1.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine (CID 99833771) is N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine is COc1ccc(S(=O)(=O)N2CC(N[C@H](C)C3CC3)C2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine?
The InChIKey is IRDMDJNEZPCHEV-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11(12-3-4-12)16-13-9-17(10-13)21(18,19)15-7-5-14(20-2)6-8-15/h5-8,11-13,16H,3-4,9-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine?
N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine has a molecular weight of 310.42 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine is sourced from PubChem (CID 99833771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).