N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine

C14H20N2O2S2 — CID 114414087

IUPACN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CCNC2CC2)s1)N1CC=CCC1
InChIInChI=1S/C14H20N2O2S2/c17-20(18,16-10-2-1-3-11-16)14-7-6-13(19-14)8-9-15-12-4-5-12/h1-2,6-7,12,15H,3-5,8-11H2
InChIKeyMJOCNASGKJODOV-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.99
Rot. Bonds6

About N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine

N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine (PubChem CID 114414087) has the molecular formula C14H20N2O2S2 and a molecular weight of 312.46 g/mol. Its IUPAC name is N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
PubChem CID114414087
Molecular FormulaC14H20N2O2S2
Molecular Weight312.46 g/mol
Exact Mass312.10
IUPAC NameN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine
SMILESO=S(=O)(c1ccc(CCNC2CC2)s1)N1CC=CCC1
InChIInChI=1S/C14H20N2O2S2/c17-20(18,16-10-2-1-3-11-16)14-7-6-13(19-14)8-9-15-12-4-5-12/h1-2,6-7,12,15H,3-5,8-11H2
InChIKeyMJOCNASGKJODOV-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.99
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-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
CID 114414151
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 66371890
N-[2-[5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]acetamide
CID 119987630
N-(1-cyclobutylethyl)-5-[2-(cyclopropylamino)ethyl]thiophene-2-sulfonamide
CID 106084827
5-[2-(cyclopropylamino)ethyl]-N-(4-methylpentan-2-yl)thiophene-2-sulfonamide
CID 106028590
5-[2-(cyclopropylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)thiophene-2-sulfonamide
CID 106081177
N-[[3-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)-4-methylphenyl]methyl]cyclopropanamine
CID 114413951
5-[2-(cyclopropylamino)ethyl]-N-(2-methyloxolan-3-yl)thiophene-2-sulfonamide
CID 106076226
N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
CID 114414212
2-[5-(2-chloroethyl)thiophen-2-yl]sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 113336365
2,2-dimethyl-N-[2-[5-[3-(methylamino)piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]propanamide;hydrochloride
CID 120715461

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine (CID 114414087) is N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine is O=S(=O)(c1ccc(CCNC2CC2)s1)N1CC=CCC1.
What is the InChIKey of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine?
The InChIKey is MJOCNASGKJODOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S2/c17-20(18,16-10-2-1-3-11-16)14-7-6-13(19-14)8-9-15-12-4-5-12/h1-2,6-7,12,15H,3-5,8-11H2.
What are the key properties of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine?
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine has a molecular weight of 312.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 114414087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).