N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide

C8H15N3O2S — CID 164653765

IUPACN-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide
SMILESCC(NC(=O)C1CNCCS1)C(N)=O
InChIInChI=1S/C8H15N3O2S/c1-5(7(9)12)11-8(13)6-4-10-2-3-14-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyQUWSNCARHVXHJR-UHFFFAOYSA-N
MW217.29 g/mol
LogP-1.32
Rot. Bonds3

About N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide (PubChem CID 164653765) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide
PubChem CID164653765
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide
SMILESCC(NC(=O)C1CNCCS1)C(N)=O
InChIInChI=1S/C8H15N3O2S/c1-5(7(9)12)11-8(13)6-4-10-2-3-14-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13)
InChIKeyQUWSNCARHVXHJR-UHFFFAOYSA-N
XLogP-1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide (CID 164653765) is N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide is CC(NC(=O)C1CNCCS1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide?
The InChIKey is QUWSNCARHVXHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-5(7(9)12)11-8(13)6-4-10-2-3-14-6/h5-6,10H,2-4H2,1H3,(H2,9,12)(H,11,13).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide has a molecular weight of 217.29 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)thiomorpholine-2-carboxamide is sourced from PubChem (CID 164653765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).