N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine

C15H22N2O3S — CID 106317132

IUPACN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(S(=O)(=O)c2cc(CNC3CC3)oc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-11-4-3-7-17(10-11)21(18,19)15-8-14(20-12(15)2)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3
InChIKeyBVXMIVVIHZTDJN-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.18
Rot. Bonds5

About N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine

N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine (PubChem CID 106317132) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
PubChem CID106317132
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(S(=O)(=O)c2cc(CNC3CC3)oc2C)C1
InChIInChI=1S/C15H22N2O3S/c1-11-4-3-7-17(10-11)21(18,19)15-8-14(20-12(15)2)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3
InChIKeyBVXMIVVIHZTDJN-UHFFFAOYSA-N
XLogP2.18
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzenesulfonamido)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807529
2-Benzenesulfonylamino-N-furan-2-ylmethyl-propionamide
CID 2963960
4-[2-(Furan-2-ylmethylamino)ethyl]benzenesulfonamide
CID 4722624
N-(5-Methane-2-furansulfonicacid)(4-sulfonamidephenyl)-ethanamine
CID 44221745
N-butyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 44602033
2-(furan-2-ylmethylamino)-N-octylethanesulfonamide
CID 45479984
N-[2-(furan-2-ylmethylamino)cyclohexyl]benzenesulfonamide
CID 2911708
2-[(2-Benzenesulfonylamino-acetyl)-furan-2-ylmethyl-amino]-pentanoic acid (1,1-dimethyl-propyl)-amide
CID 3206796
2-[benzenesulfonyl(furan-2-ylmethyl)amino]-N-pentan-2-ylacetamide
CID 16303401
N-(2-furylmethyl)-4-[(phenylsulfonyl)amino]butanamide
CID 3245825
5-piperidin-1-ylsulfonyl-N-propylfuran-2-carboxamide
CID 40062837
N-cyclohexyl-2-(furan-2-ylmethylamino)ethanesulfonamide
CID 45479983

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine (CID 106317132) is N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine is CC1=CCCN(S(=O)(=O)c2cc(CNC3CC3)oc2C)C1.
What is the InChIKey of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine?
The InChIKey is BVXMIVVIHZTDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-4-3-7-17(10-11)21(18,19)15-8-14(20-12(15)2)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3.
What are the key properties of N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine?
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine has a molecular weight of 310.42 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106317132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).