N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine

C15H24N2O2S2 — CID 102754268

IUPACN-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C15H24N2O2S2/c1-10-7-17(8-11(10)2)21(18,19)15-12(3)9-20-14(15)6-16-13-4-5-13/h9-11,13,16H,4-8H2,1-3H3
InChIKeyZAGOWANVDGGQQO-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.59
Rot. Bonds5

About N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine

N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 102754268) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID102754268
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1csc(CNC2CC2)c1S(=O)(=O)N1CC(C)C(C)C1
InChIInChI=1S/C15H24N2O2S2/c1-10-7-17(8-11(10)2)21(18,19)15-12(3)9-20-14(15)6-16-13-4-5-13/h9-11,13,16H,4-8H2,1-3H3
InChIKeyZAGOWANVDGGQQO-UHFFFAOYSA-N
XLogP2.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
1-[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102754265
N-[[4-methyl-3-(3-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750899
N-[[4-methyl-3-(2-methylmorpholin-4-yl)sulfonylthiophen-2-yl]methyl]cyclopropanamine
CID 102750920
N-[[4-methyl-3-(1,4-oxazepan-4-ylsulfonyl)thiophen-2-yl]methyl]cyclopropanamine
CID 102753555
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
1-[3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]-N-methylmethanamine
CID 102751087
2-[(cyclopropylamino)methyl]-N,4-dimethyl-N-pentan-2-ylthiophene-3-sulfonamide
CID 102751669
2-[(cyclopropylamino)methyl]-4-methyl-N-(thiolan-3-yl)thiophene-3-sulfonamide
CID 106086348
2-[(cyclopropylamino)methyl]-4-methyl-N-(4-methylpentan-2-yl)thiophene-3-sulfonamide
CID 106028713
2-[(cyclopropylamino)methyl]-4-methyl-N-phenylthiophene-3-sulfonamide
CID 102751909
N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-ethyl-4-methylthiophene-3-sulfonamide
CID 102751317

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine (CID 102754268) is N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine is Cc1csc(CNC2CC2)c1S(=O)(=O)N1CC(C)C(C)C1.
What is the InChIKey of N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is ZAGOWANVDGGQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-7-17(8-11(10)2)21(18,19)15-12(3)9-20-14(15)6-16-13-4-5-13/h9-11,13,16H,4-8H2,1-3H3.
What are the key properties of N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine?
N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine has a molecular weight of 328.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 102754268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).