N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide

C19H34N2O2S — CID 71040377

IUPACN-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCC(C)S(=O)NCCCCC(=O)NC1(C)CC=C2CCCC2C1C
InChIInChI=1S/C19H34N2O2S/c1-14(2)24(23)20-13-6-5-10-18(22)21-19(4)12-11-16-8-7-9-17(16)15(19)3/h11,14-15,17,20H,5-10,12-13H2,1-4H3,(H,21,22)
InChIKeyIWMSDIFSISKPIN-UHFFFAOYSA-N
MW354.56 g/mol
LogP3.46
Rot. Bonds8

About N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide

N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide (PubChem CID 71040377) has the molecular formula C19H34N2O2S and a molecular weight of 354.56 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
PubChem CID71040377
Molecular FormulaC19H34N2O2S
Molecular Weight354.56 g/mol
Exact Mass354.23
IUPAC NameN-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide
SMILESCC(C)S(=O)NCCCCC(=O)NC1(C)CC=C2CCCC2C1C
InChIInChI=1S/C19H34N2O2S/c1-14(2)24(23)20-13-6-5-10-18(22)21-19(4)12-11-16-8-7-9-17(16)15(19)3/h11,14-15,17,20H,5-10,12-13H2,1-4H3,(H,21,22)
InChIKeyIWMSDIFSISKPIN-UHFFFAOYSA-N
XLogP3.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The IUPAC name of N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide (CID 71040377) is N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The canonical SMILES for N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide is CC(C)S(=O)NCCCCC(=O)NC1(C)CC=C2CCCC2C1C.
What is the InChIKey of N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
The InChIKey is IWMSDIFSISKPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O2S/c1-14(2)24(23)20-13-6-5-10-18(22)21-19(4)12-11-16-8-7-9-17(16)15(19)3/h11,14-15,17,20H,5-10,12-13H2,1-4H3,(H,21,22).
What are the key properties of N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide?
N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide has a molecular weight of 354.56 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,2,3,3a,4,6-hexahydroinden-5-yl)-5-(propan-2-ylsulfinylamino)pentanamide is sourced from PubChem (CID 71040377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).