Cyclacillin

Name: Cyclacillin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₅H₂₃N₃O₄S — CID 19003

💊View drug profile → cyclacillin

Data last refreshed: 2026-04-14 (MolForge compound catalog, from PubChem)

IUPAC(2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SMILESCC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O

InChIInChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1

InChIKeyHGBLNBBNRORJKI-WCABBAIRSA-N

MW341.43 g/mol

LogP0.28

Rot. Bonds3

About Cyclacillin

Cyclacillin (PubChem CID 19003) has the molecular formula C₁₅H₂₃N₃O₄S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name	Cyclacillin
PubChem CID	19003
Molecular Formula	C₁₅H₂₃N₃O₄S
Molecular Weight	341.43 g/mol
Exact Mass	341.14
IUPAC Name	(2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O
InChI	InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1
InChIKey	HGBLNBBNRORJKI-WCABBAIRSA-N
XLogP	0.28
TPSA	112.73 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	3
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.43
LogP ≤ 5	0.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Cyclacillin?

The IUPAC name of Cyclacillin (CID 19003) is (2S,5R,6R)-6-[(1-aminocyclohexanecarbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.

What is the SMILES notation for Cyclacillin?

The canonical SMILES for Cyclacillin is CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O.

What is the InChIKey of Cyclacillin?

The InChIKey is HGBLNBBNRORJKI-WCABBAIRSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1.

What are the key properties of Cyclacillin?

Cyclacillin has a molecular weight of 341.43 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclacillin is sourced from PubChem (CID 19003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: C · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 19003 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 632 — approved-drug record (CC BY-SA 4.0)

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