N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine

C15H24N2S — CID 114818560

IUPACN-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c(s1)CC1(CCCC1)CC2
InChIInChI=1S/C15H24N2S/c1-11(2)16-10-14-17-12-5-8-15(6-3-4-7-15)9-13(12)18-14/h11,16H,3-10H2,1-2H3
InChIKeyNCBWUWKSNLWBOG-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.69
Rot. Bonds3

About N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine

N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine (PubChem CID 114818560) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine
PubChem CID114818560
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC NameN-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c(s1)CC1(CCCC1)CC2
InChIInChI=1S/C15H24N2S/c1-11(2)16-10-14-17-12-5-8-15(6-3-4-7-15)9-13(12)18-14/h11,16H,3-10H2,1-2H3
InChIKeyNCBWUWKSNLWBOG-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine (CID 114818560) is N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine is CC(C)NCc1nc2c(s1)CC1(CCCC1)CC2.
What is the InChIKey of N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine?
The InChIKey is NCBWUWKSNLWBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-11(2)16-10-14-17-12-5-8-15(6-3-4-7-15)9-13(12)18-14/h11,16H,3-10H2,1-2H3.
What are the key properties of N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine?
N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine has a molecular weight of 264.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 114818560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).