4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide

C10H19N3O2S — CID 83099710

IUPAC4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(C)CC(N)=S
InChIInChI=1S/C10H19N3O2S/c1-7(5-9(11)16)13-3-4-15-6-8(13)10(14)12-2/h7-8H,3-6H2,1-2H3,(H2,11,16)(H,12,14)
InChIKeyROWOVHKWXRFRDL-UHFFFAOYSA-N
MW245.35 g/mol
LogP-0.50
Rot. Bonds4

About 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide

4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide (PubChem CID 83099710) has the molecular formula C10H19N3O2S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
PubChem CID83099710
Molecular FormulaC10H19N3O2S
Molecular Weight245.35 g/mol
Exact Mass245.12
IUPAC Name4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(C)CC(N)=S
InChIInChI=1S/C10H19N3O2S/c1-7(5-9(11)16)13-3-4-15-6-8(13)10(14)12-2/h7-8H,3-6H2,1-2H3,(H2,11,16)(H,12,14)
InChIKeyROWOVHKWXRFRDL-UHFFFAOYSA-N
XLogP-0.50
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-(4-oxopentan-2-yl)morpholine-3-carboxamide
CID 83096571
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
4-(3-amino-1,1,1-trifluoropentan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83107069
4-(5-hydrazinyl-5-oxopentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105965
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
4-(5-hydrazinyl-5-oxopentan-2-yl)morpholine-3-carboxamide
CID 83095939
4-[2-amino-1-(2-methoxyphenyl)ethyl]-N-methylmorpholine-3-carboxamide
CID 83097793
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide (CID 83099710) is 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(C)CC(N)=S.
What is the InChIKey of 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide?
The InChIKey is ROWOVHKWXRFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2S/c1-7(5-9(11)16)13-3-4-15-6-8(13)10(14)12-2/h7-8H,3-6H2,1-2H3,(H2,11,16)(H,12,14).
What are the key properties of 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide?
4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide has a molecular weight of 245.35 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83099710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).