N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide

C13H26N4O4S — CID 75419936

IUPACN-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide
SMILESNC(=O)NCCCCC(=O)NS(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C13H26N4O4S/c14-13(19)15-9-5-4-8-12(18)16-22(20,21)17-10-6-2-1-3-7-11-17/h1-11H2,(H,16,18)(H3,14,15,19)
InChIKeyZVHCVOPJBKDAGK-UHFFFAOYSA-N
MW334.44 g/mol
LogP0.45
Rot. Bonds7

About N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide

N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide (PubChem CID 75419936) has the molecular formula C13H26N4O4S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide.

Molecular Properties

Compound NameN-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide
PubChem CID75419936
Molecular FormulaC13H26N4O4S
Molecular Weight334.44 g/mol
Exact Mass334.17
IUPAC NameN-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide
SMILESNC(=O)NCCCCC(=O)NS(=O)(=O)N1CCCCCCC1
InChIInChI=1S/C13H26N4O4S/c14-13(19)15-9-5-4-8-12(18)16-22(20,21)17-10-6-2-1-3-7-11-17/h1-11H2,(H,16,18)(H3,14,15,19)
InChIKeyZVHCVOPJBKDAGK-UHFFFAOYSA-N
XLogP0.45
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-N-pyrrolidin-1-ylsulfonylbutanamide
CID 170949041
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
6-(carbamoylamino)-N-(cyclohexylmethyl)hexanamide
CID 39969417
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
N-(4-methoxybutyl)-5-piperidin-1-ylsulfonylpentanamide
CID 110617165
N-piperidin-1-ylsulfonylacetamide
CID 59405916
2-(azepan-1-ylsulfonylamino)acetamide
CID 60713634
N-pyrrolidin-1-ylsulfonyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 60562502
2-(3-pyrrolidin-1-ylpropylamino)ethylurea
CID 83114078
4-(azepan-1-ylsulfonylamino)-N'-hydroxybutanimidamide
CID 76953279
methyl 6-(pyrrolidin-1-ylsulfonylamino)hexanoate
CID 43423056
3-(azepan-1-ylsulfonylamino)-N'-hydroxypropanimidamide
CID 55102000

Frequently Asked Questions

What is the IUPAC name of N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide?
The IUPAC name of N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide (CID 75419936) is N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide.
What is the SMILES notation for N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide?
The canonical SMILES for N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide is NC(=O)NCCCCC(=O)NS(=O)(=O)N1CCCCCCC1.
What is the InChIKey of N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide?
The InChIKey is ZVHCVOPJBKDAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O4S/c14-13(19)15-9-5-4-8-12(18)16-22(20,21)17-10-6-2-1-3-7-11-17/h1-11H2,(H,16,18)(H3,14,15,19).
What are the key properties of N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide?
N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide has a molecular weight of 334.44 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azocan-1-ylsulfonyl)-5-(carbamoylamino)pentanamide is sourced from PubChem (CID 75419936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).