N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine

C15H24N2O3S — CID 86784647

IUPACN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(C)o1
InChIInChI=1S/C15H24N2O3S/c1-11-9-15(12(2)20-11)21(18,19)17-7-5-14(6-8-17)16-10-13-3-4-13/h9,13-14,16H,3-8,10H2,1-2H3
InChIKeyBWPHHBOBAVLPHA-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.05
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine

N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine (PubChem CID 86784647) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
PubChem CID86784647
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine
SMILESCc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(C)o1
InChIInChI=1S/C15H24N2O3S/c1-11-9-15(12(2)20-11)21(18,19)17-7-5-14(6-8-17)16-10-13-3-4-13/h9,13-14,16H,3-8,10H2,1-2H3
InChIKeyBWPHHBOBAVLPHA-UHFFFAOYSA-N
XLogP2.05
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-(cyclopropylmethyl)-1-(2,4-difluoro-5-methylphenyl)sulfonylpiperidin-4-amine
CID 119987503
2-[1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-yl]-N-methylacetamide
CID 146075410
1-(4-bromo-2-methylphenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 120711384
1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119987415
N-(cyclopropylmethyl)-1-(2-fluoro-3-methylphenyl)sulfonylpiperidin-4-amine
CID 120711454
N-(cyclopropylmethyl)-1-(2,5-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987518
4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 119987403
N-(cyclopropylmethyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]sulfonylpiperidin-4-amine
CID 119987410
1-(5-chloro-2-fluorophenyl)sulfonyl-N-(cyclopropylmethyl)piperidin-4-amine
CID 120894115
methyl 3-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-4-methylbenzoate
CID 119987827
N-(cyclopropylmethyl)-1-(2,3-dichlorophenyl)sulfonylpiperidin-4-amine
CID 119987433
N-(cyclopropylmethyl)-1-(4-methoxy-3,5-dimethylphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119987781

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine (CID 86784647) is N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine is Cc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(C)o1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine?
The InChIKey is BWPHHBOBAVLPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11-9-15(12(2)20-11)21(18,19)17-7-5-14(6-8-17)16-10-13-3-4-13/h9,13-14,16H,3-8,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine?
N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine has a molecular weight of 312.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,5-dimethylfuran-3-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 86784647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).