N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide

C14H27N5O3S — CID 96512147

IUPACN-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1nc(CN(C)[C@H]2CCN(CCNS(=O)(=O)CC)C2)no1
InChIInChI=1S/C14H27N5O3S/c1-4-14-16-13(17-22-14)11-18(3)12-6-8-19(10-12)9-7-15-23(20,21)5-2/h12,15H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyZJTWNIJKCGYPHP-LBPRGKRZSA-N
MW345.47 g/mol
LogP0.08
Rot. Bonds9

About N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide

N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide (PubChem CID 96512147) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
PubChem CID96512147
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC NameN-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide
SMILESCCc1nc(CN(C)[C@H]2CCN(CCNS(=O)(=O)CC)C2)no1
InChIInChI=1S/C14H27N5O3S/c1-4-14-16-13(17-22-14)11-18(3)12-6-8-19(10-12)9-7-15-23(20,21)5-2/h12,15H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyZJTWNIJKCGYPHP-LBPRGKRZSA-N
XLogP0.08
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide (CID 96512147) is N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide is CCc1nc(CN(C)[C@H]2CCN(CCNS(=O)(=O)CC)C2)no1.
What is the InChIKey of N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
The InChIKey is ZJTWNIJKCGYPHP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-4-14-16-13(17-22-14)11-18(3)12-6-8-19(10-12)9-7-15-23(20,21)5-2/h12,15H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide?
N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 0.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 96512147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).