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

C14H20N2O2S2 — CID 114414192

IUPACN-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1=CCN(S(=O)(=O)c2ccsc2CNC2CC2)CC1
InChIInChI=1S/C14H20N2O2S2/c1-11-4-7-16(8-5-11)20(17,18)14-6-9-19-13(14)10-15-12-2-3-12/h4,6,9,12,15H,2-3,5,7-8,10H2,1H3
InChIKeyODJUSXCMQGGSOM-UHFFFAOYSA-N
MW312.46 g/mol
LogP2.34
Rot. Bonds5

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

N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 114414192) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID114414192
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1=CCN(S(=O)(=O)c2ccsc2CNC2CC2)CC1
InChIInChI=1S/C14H20N2O2S2/c1-11-4-7-16(8-5-11)20(17,18)14-6-9-19-13(14)10-15-12-2-3-12/h4,6,9,12,15H,2-3,5,7-8,10H2,1H3
InChIKeyODJUSXCMQGGSOM-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 52.34
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

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
4-(1-Butylamino-ethyl)-thiophene-2-sulfonic acid amide
CID 10038370
4-[3-[(Propan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261768
4-[3-[(Butan-2-ylamino)methyl]phenyl]sulfonylthiophene-2-sulfonamide;hydrochloride
CID 45261845
4-{2-[(2-Thienylmethyl)amino]ethyl}benzenesulfonamide
CID 1817801
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]ethanesulfonamide
CID 3240176
[5-(Piperidine-1-sulfonyl)thiophen-2-yl]methanamine
CID 16227277
N-[2-(dimethylamino)-2-(thiophen-2-yl)ethyl]-4-fluorobenzene-1-sulfonamide
CID 18589433
1-(methylsulfonyl)-N-[1-(2-thienyl)propyl]piperidin-4-amine
CID 43628724
N-[ethyl(thiophen-2-ylmethyl)sulfamoyl]-N-methylpropan-2-amine
CID 45822219

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine (CID 114414192) is N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine is CC1=CCN(S(=O)(=O)c2ccsc2CNC2CC2)CC1.
What is the InChIKey of N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is ODJUSXCMQGGSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c1-11-4-7-16(8-5-11)20(17,18)14-6-9-19-13(14)10-15-12-2-3-12/h4,6,9,12,15H,2-3,5,7-8,10H2,1H3.
What are the key properties of N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 312.46 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114414192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).