N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide

C14H24N4O3S — CID 90859869

IUPACN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)N1CCOCC1
InChIInChI=1S/C14H24N4O3S/c19-13(18-3-6-22-10-18)12-7-11(8-15-12)9-16-14(20)17-1-4-21-5-2-17/h11-12,15H,1-10H2,(H,16,20)/t11-,12-/m0/s1
InChIKeyGYOMZQZWAMRBTR-RYUDHWBXSA-N
MW328.44 g/mol
LogP-0.46
Rot. Bonds3

About N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide

N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide (PubChem CID 90859869) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
PubChem CID90859869
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide
SMILESO=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)N1CCOCC1
InChIInChI=1S/C14H24N4O3S/c19-13(18-3-6-22-10-18)12-7-11(8-15-12)9-16-14(20)17-1-4-21-5-2-17/h11-12,15H,1-10H2,(H,16,20)/t11-,12-/m0/s1
InChIKeyGYOMZQZWAMRBTR-RYUDHWBXSA-N
XLogP-0.46
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide (CID 90859869) is N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide is O=C(NC[C@@H]1CN[C@H](C(=O)N2CCSC2)C1)N1CCOCC1.
What is the InChIKey of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
The InChIKey is GYOMZQZWAMRBTR-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H24N4O3S/c19-13(18-3-6-22-10-18)12-7-11(8-15-12)9-16-14(20)17-1-4-21-5-2-17/h11-12,15H,1-10H2,(H,16,20)/t11-,12-/m0/s1.
What are the key properties of N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide?
N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide has a molecular weight of 328.44 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 90859869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).