N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine

C14H23N3O2S2 — CID 79166239

IUPACN-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CCC3CCC(C2)N3C)c1
InChIInChI=1S/C14H23N3O2S2/c1-15-8-11-7-14(20-10-11)21(18,19)17-6-5-12-3-4-13(9-17)16(12)2/h7,10,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyGPLSDDGSXHMOTC-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.32
Rot. Bonds4

About N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine

N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine (PubChem CID 79166239) has the molecular formula C14H23N3O2S2 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
PubChem CID79166239
Molecular FormulaC14H23N3O2S2
Molecular Weight329.49 g/mol
Exact Mass329.12
IUPAC NameN-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine
SMILESCNCc1csc(S(=O)(=O)N2CCC3CCC(C2)N3C)c1
InChIInChI=1S/C14H23N3O2S2/c1-15-8-11-7-14(20-10-11)21(18,19)17-6-5-12-3-4-13(9-17)16(12)2/h7,10,12-13,15H,3-6,8-9H2,1-2H3
InChIKeyGPLSDDGSXHMOTC-UHFFFAOYSA-N
XLogP1.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(3,4-dimethoxypyrrolidin-1-yl)sulfonylthiophen-3-yl]-N-methylmethanamine
CID 103541564
4-(methylaminomethyl)-N-(1-methylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 114140871
N-methyl-1-[5-(2,3,5-trimethylpiperidin-1-yl)sulfonylthiophen-3-yl]methanamine
CID 114597745
4-(methylaminomethyl)-N-(1-propylpiperidin-4-yl)thiophene-2-sulfonamide
CID 106001510
N-[[5-(3,6-dihydro-2H-pyridin-1-ylsulfonyl)thiophen-3-yl]methyl]ethanamine
CID 114413983
N-methyl-1-[5-(3-methylsulfonylthiomorpholin-4-yl)sulfonylthiophen-3-yl]methanamine
CID 66383875
N-methyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79165858
N-[[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylthiophen-3-yl]methyl]propan-2-amine
CID 104961556
N-(1,1-dioxothian-3-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065974
N-(1-cyclopropylpropan-2-yl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106065876
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]aniline
CID 79175051
[5-bromo-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79166086

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine (CID 79166239) is N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine is CNCc1csc(S(=O)(=O)N2CCC3CCC(C2)N3C)c1.
What is the InChIKey of N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine?
The InChIKey is GPLSDDGSXHMOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S2/c1-15-8-11-7-14(20-10-11)21(18,19)17-6-5-12-3-4-13(9-17)16(12)2/h7,10,12-13,15H,3-6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine?
N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine has a molecular weight of 329.49 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]thiophen-3-yl]methanamine is sourced from PubChem (CID 79166239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).