CID 134787185

C19H36N2O4S — CID 134787185

IUPAC—
SMILESCC(C)NC(=O)C(C)[C@@H]1CC[C@@]2(C)CC[C@H](N[S+](C)(=O)[O-])[C@@H](C)[C@@H]2[C@H]1O
InChIInChI=1S/C19H36N2O4S/c1-11(2)20-18(23)12(3)14-7-9-19(5)10-8-15(21-26(6,24)25)13(4)16(19)17(14)22/h11-17,22H,7-10H2,1-6H3,(H2-,20,21,23,24,25)/t12?,13-,14+,15+,16-,17+,19+/m1/s1
InChIKeyHGIYTEUTYMLHAC-VQPMZIEUSA-N
MW388.57 g/mol
LogP2.10
Rot. Bonds5

About CID 134787185

CID 134787185 (PubChem CID 134787185) has the molecular formula C19H36N2O4S and a molecular weight of 388.57 g/mol.

Molecular Properties

Compound NameCID 134787185
PubChem CID134787185
Molecular FormulaC19H36N2O4S
Molecular Weight388.57 g/mol
Exact Mass388.24
IUPAC Name—
SMILESCC(C)NC(=O)C(C)[C@@H]1CC[C@@]2(C)CC[C@H](N[S+](C)(=O)[O-])[C@@H](C)[C@@H]2[C@H]1O
InChIInChI=1S/C19H36N2O4S/c1-11(2)20-18(23)12(3)14-7-9-19(5)10-8-15(21-26(6,24)25)13(4)16(19)17(14)22/h11-17,22H,7-10H2,1-6H3,(H2-,20,21,23,24,25)/t12?,13-,14+,15+,16-,17+,19+/m1/s1
InChIKeyHGIYTEUTYMLHAC-VQPMZIEUSA-N
XLogP2.10
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.57
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134787185?
The IUPAC name of CID 134787185 (CID 134787185) is not available.
What is the SMILES notation for CID 134787185?
The canonical SMILES for CID 134787185 is CC(C)NC(=O)C(C)[C@@H]1CC[C@@]2(C)CC[C@H](N[S+](C)(=O)[O-])[C@@H](C)[C@@H]2[C@H]1O.
What is the InChIKey of CID 134787185?
The InChIKey is HGIYTEUTYMLHAC-VQPMZIEUSA-N. The full InChI is InChI=1S/C19H36N2O4S/c1-11(2)20-18(23)12(3)14-7-9-19(5)10-8-15(21-26(6,24)25)13(4)16(19)17(14)22/h11-17,22H,7-10H2,1-6H3,(H2-,20,21,23,24,25)/t12?,13-,14+,15+,16-,17+,19+/m1/s1.
What are the key properties of CID 134787185?
CID 134787185 has a molecular weight of 388.57 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134787185 is sourced from PubChem (CID 134787185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).