N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

C15H26N2O2S2 — CID 103504278

IUPACN-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCNCc1sc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-11(2)13-5-7-17(8-6-13)21(18,19)15-9-12(3)14(20-15)10-16-4/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyKYWTUKCHSCUKFO-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine

N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 103504278) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID103504278
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC NameN-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
SMILESCNCc1sc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1C
InChIInChI=1S/C15H26N2O2S2/c1-11(2)13-5-7-17(8-6-13)21(18,19)15-9-12(3)14(20-15)10-16-4/h9,11,13,16H,5-8,10H2,1-4H3
InChIKeyKYWTUKCHSCUKFO-UHFFFAOYSA-N
XLogP2.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(3-methoxypiperidin-1-yl)sulfonyl-3-methylthiophen-2-yl]-N-methylmethanamine
CID 102971758
N-methyl-1-[3-methyl-5-(2-propylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 83044541
N-(1-cyclohexylethyl)-4-methyl-5-(methylaminomethyl)thiophene-2-sulfonamide
CID 106056840
4-methyl-5-(methylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-2-sulfonamide
CID 106092072
1-[1-(4,5-dimethylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 86784611
1-[1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 103100405
N-[[3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]thiophen-2-yl]methyl]cyclopropanamine
CID 106317127
4-methyl-5-(methylaminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]thiophene-2-sulfonamide
CID 106094784
[5-(3-ethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methanamine
CID 113419419
1-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpiperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978133
N-[[5-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-3-methylthiophen-2-yl]methyl]cyclopropanamine
CID 79180236
1-[5-(chloromethyl)-2-methylthiophen-3-yl]sulfonyl-4-propan-2-ylpiperidine
CID 103504222

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine (CID 103504278) is N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is CNCc1sc(S(=O)(=O)N2CCC(C(C)C)CC2)cc1C.
What is the InChIKey of N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is KYWTUKCHSCUKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11(2)13-5-7-17(8-6-13)21(18,19)15-9-12(3)14(20-15)10-16-4/h9,11,13,16H,5-8,10H2,1-4H3.
What are the key properties of N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine?
N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 330.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-methyl-5-(4-propan-2-ylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 103504278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).