1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride

C16H29ClN4O4S — CID 120651592

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 120651592) has the molecular formula C16H29ClN4O4S and a molecular weight of 408.95 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
• PubChem CID: 120651592
• Molecular Formula: C16H29ClN4O4S
• Molecular Weight: 408.95 g/mol
• Exact Mass: 408.16
• IUPAC Name: 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
• SMILES: CCN[C@H](C)CNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1.Cl
• InChI: InChI=1S/C16H28N4O4S.ClH/c1-5-17-11(2)10-18-15(21)16(8-6-7-9-16)20-25(22,23)14-12(3)19-24-13(14)4;/h11,17,20H,5-10H2,1-4H3,(H,18,21);1H/t11-;/m1./s1
• InChIKey: XYCDNBULYIYBKT-RFVHGSKJSA-N
• XLogP: 1.42
• TPSA: 113.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.95
LogP ≤ 5	1.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?

The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride (CID 120651592) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride.

What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?

The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1.Cl.

What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?

The InChIKey is XYCDNBULYIYBKT-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H28N4O4S.ClH/c1-5-17-11(2)10-18-15(21)16(8-6-7-9-16)20-25(22,23)14-12(3)19-24-13(14)4;/h11,17,20H,5-10H2,1-4H3,(H,18,21);1H/t11-;/m1./s1.

What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride?

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 408.95 g/mol, XLogP of 1.42, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120651592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).