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

C15H22N2O2S2 — CID 106317127

IUPACN-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(S(=O)(=O)c2cc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H22N2O2S2/c1-11-4-3-7-17(10-11)21(18,19)15-8-12(2)14(20-15)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3
InChIKeyDMPJSIADTQNINS-UHFFFAOYSA-N
MW326.49 g/mol
LogP2.65
Rot. Bonds5

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

N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine (PubChem CID 106317127) has the molecular formula C15H22N2O2S2 and a molecular weight of 326.49 g/mol. Its IUPAC name is N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
PubChem CID106317127
Molecular FormulaC15H22N2O2S2
Molecular Weight326.49 g/mol
Exact Mass326.11
IUPAC NameN-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
SMILESCC1=CCCN(S(=O)(=O)c2cc(C)c(CNC3CC3)s2)C1
InChIInChI=1S/C15H22N2O2S2/c1-11-4-3-7-17(10-11)21(18,19)15-8-12(2)14(20-15)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3
InChIKeyDMPJSIADTQNINS-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 52.65
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-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
N-[[5-methyl-4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]furan-2-yl]methyl]cyclopropanamine
CID 106317132
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 103504278
1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
5-[(cyclopropylamino)methyl]-N-(4-methoxybutyl)-4-methylthiophene-2-sulfonamide
CID 106054144
5-[(cyclopropylamino)methyl]-N-(2,2-dimethylbutyl)-4-methylthiophene-2-sulfonamide
CID 103466078
5-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-2-ylmethyl)thiophene-2-sulfonamide
CID 106071767
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
5-[(cyclopropylamino)methyl]-N-(1-ethoxypropan-2-yl)-4-methylthiophene-2-sulfonamide
CID 106054395
5-[(cyclopropylamino)methyl]-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)thiophene-2-sulfonamide
CID 106013527
5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophene-3-carboxylic acid
CID 106313498
N-methyl-1-[4-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]methanamine
CID 106315326

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine (CID 106317127) is N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine is CC1=CCCN(S(=O)(=O)c2cc(C)c(CNC3CC3)s2)C1.
What is the InChIKey of N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is DMPJSIADTQNINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S2/c1-11-4-3-7-17(10-11)21(18,19)15-8-12(2)14(20-15)9-16-13-5-6-13/h4,8,13,16H,3,5-7,9-10H2,1-2H3.
What are the key properties of N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine?
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 326.49 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106317127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).