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

C14H22N2O2S2 — CID 114414151

IUPACN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(S(=O)(=O)N2CC=CCC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-12(2)15-9-8-13-6-7-14(19-13)20(17,18)16-10-4-3-5-11-16/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyHGJYAACNNQWCSJ-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.24
Rot. Bonds6

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

N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine (PubChem CID 114414151) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
PubChem CID114414151
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC NameN-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ccc(S(=O)(=O)N2CC=CCC2)s1
InChIInChI=1S/C14H22N2O2S2/c1-12(2)15-9-8-13-6-7-14(19-13)20(17,18)16-10-4-3-5-11-16/h3-4,6-7,12,15H,5,8-11H2,1-2H3
InChIKeyHGJYAACNNQWCSJ-UHFFFAOYSA-N
XLogP2.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.24
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]cyclopropanamine
CID 114414087
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]methyl]ethanamine
CID 114414158
N-[[4-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)phenyl]methyl]propan-2-amine
CID 114411261
N-[2-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)ethyl]propan-2-amine
CID 114411267
N-[[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)thiophen-2-yl]methyl]propan-2-amine
CID 66371891
N-(cyclopentylmethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106027132
5-[2-(propan-2-ylamino)ethyl]-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 106072041
N-[2-[5-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]ethyl]propan-1-amine
CID 114414212
(2S)-2-amino-4-methyl-N-[2-(5-piperidin-1-ylsulfonylthiophen-2-yl)ethyl]pentanamide;hydrochloride
CID 119802258
N-(2-ethoxyethyl)-5-[2-(propan-2-ylamino)ethyl]thiophene-2-sulfonamide
CID 106020076
2-[5-(3-methoxypiperidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 102959737
2-[5-(4-methylsulfonylpiperazin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 62992395

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine (CID 114414151) is N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ccc(S(=O)(=O)N2CC=CCC2)s1.
What is the InChIKey of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine?
The InChIKey is HGJYAACNNQWCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-12(2)15-9-8-13-6-7-14(19-13)20(17,18)16-10-4-3-5-11-16/h3-4,6-7,12,15H,5,8-11H2,1-2H3.
What are the key properties of N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine?
N-[2-[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-2-yl]ethyl]propan-2-amine has a molecular weight of 314.48 g/mol, XLogP of 2.24, 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]propan-2-amine is sourced from PubChem (CID 114414151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).