N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine

C15H24N2O2S2 — CID 79180236

IUPACN-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1cc(S(=O)(=O)N2CC(C)C(C)C2)sc1CNC1CC1
InChIInChI=1S/C15H24N2O2S2/c1-10-6-15(20-14(10)7-16-13-4-5-13)21(18,19)17-8-11(2)12(3)9-17/h6,11-13,16H,4-5,7-9H2,1-3H3
InChIKeyMJMJZRONBDKKJN-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.59
Rot. Bonds5

About N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine

N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine (PubChem CID 79180236) has the molecular formula C15H24N2O2S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
PubChem CID79180236
Molecular FormulaC15H24N2O2S2
Molecular Weight328.50 g/mol
Exact Mass328.13
IUPAC NameN-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
SMILESCc1cc(S(=O)(=O)N2CC(C)C(C)C2)sc1CNC1CC1
InChIInChI=1S/C15H24N2O2S2/c1-10-6-15(20-14(10)7-16-13-4-5-13)21(18,19)17-8-11(2)12(3)9-17/h6,11-13,16H,4-5,7-9H2,1-3H3
InChIKeyMJMJZRONBDKKJN-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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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine (CID 79180236) is N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine is Cc1cc(S(=O)(=O)N2CC(C)C(C)C2)sc1CNC1CC1.
What is the InChIKey of N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine?
The InChIKey is MJMJZRONBDKKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S2/c1-10-6-15(20-14(10)7-16-13-4-5-13)21(18,19)17-8-11(2)12(3)9-17/h6,11-13,16H,4-5,7-9H2,1-3H3.
What are the key properties of N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine?
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-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-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79180236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).