N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide

C9H15N3O4S — CID 87675212

IUPACN-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CSN=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O4S/c1-7(13)10-8(6-17-11-15)9(14)12-2-4-16-5-3-12/h8H,2-6H2,1H3,(H,10,13)/t8-/m0/s1
InChIKeyHCQISFPGTYFEAV-QMMMGPOBSA-N
MW261.30 g/mol
LogP-0.24
Rot. Bonds5

About N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide

N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide (PubChem CID 87675212) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide
PubChem CID87675212
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC NameN-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CSN=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H15N3O4S/c1-7(13)10-8(6-17-11-15)9(14)12-2-4-16-5-3-12/h8H,2-6H2,1H3,(H,10,13)/t8-/m0/s1
InChIKeyHCQISFPGTYFEAV-QMMMGPOBSA-N
XLogP-0.24
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide?
The IUPAC name of N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide (CID 87675212) is N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](CSN=O)C(=O)N1CCOCC1.
What is the InChIKey of N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide?
The InChIKey is HCQISFPGTYFEAV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-7(13)10-8(6-17-11-15)9(14)12-2-4-16-5-3-12/h8H,2-6H2,1H3,(H,10,13)/t8-/m0/s1.
What are the key properties of N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide?
N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide has a molecular weight of 261.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-morpholin-4-yl-3-nitrososulfanyl-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 87675212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).