N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide

C14H26N4O4S — CID 142971010

IUPACN-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide
SMILESCC[C@@H](C#N)N(CC)C(=O)CNCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S/c1-3-13(11-15)18(4-2)14(19)12-16-5-10-23(20,21)17-6-8-22-9-7-17/h13,16H,3-10,12H2,1-2H3/t13-/m0/s1
InChIKeyMTBNLMOJZXAGSU-ZDUSSCGKSA-N
MW346.45 g/mol
LogP-0.61
Rot. Bonds9

About N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide

N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide (PubChem CID 142971010) has the molecular formula C14H26N4O4S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide
PubChem CID142971010
Molecular FormulaC14H26N4O4S
Molecular Weight346.45 g/mol
Exact Mass346.17
IUPAC NameN-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide
SMILESCC[C@@H](C#N)N(CC)C(=O)CNCCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C14H26N4O4S/c1-3-13(11-15)18(4-2)14(19)12-16-5-10-23(20,21)17-6-8-22-9-7-17/h13,16H,3-10,12H2,1-2H3/t13-/m0/s1
InChIKeyMTBNLMOJZXAGSU-ZDUSSCGKSA-N
XLogP-0.61
TPSA102.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 5-0.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide?
The IUPAC name of N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide (CID 142971010) is N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide.
What is the SMILES notation for N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide?
The canonical SMILES for N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide is CC[C@@H](C#N)N(CC)C(=O)CNCCS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide?
The InChIKey is MTBNLMOJZXAGSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N4O4S/c1-3-13(11-15)18(4-2)14(19)12-16-5-10-23(20,21)17-6-8-22-9-7-17/h13,16H,3-10,12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide?
N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide has a molecular weight of 346.45 g/mol, XLogP of -0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyanopropyl]-N-ethyl-2-(2-morpholin-4-ylsulfonylethylamino)acetamide is sourced from PubChem (CID 142971010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).