[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine

C15H26N2O2S2 — CID 102753326

IUPAC[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17-7-5-12(6-8-17)15(2,3)4/h10,12H,5-9,16H2,1-4H3
InChIKeyKQCVYMMGLUVJNP-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.96
Rot. Bonds3

About [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine

[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine (PubChem CID 102753326) has the molecular formula C15H26N2O2S2 and a molecular weight of 330.52 g/mol. Its IUPAC name is [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
PubChem CID102753326
Molecular FormulaC15H26N2O2S2
Molecular Weight330.52 g/mol
Exact Mass330.14
IUPAC Name[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
SMILESCc1csc(CN)c1S(=O)(=O)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17-7-5-12(6-8-17)15(2,3)4/h10,12H,5-9,16H2,1-4H3
InChIKeyKQCVYMMGLUVJNP-UHFFFAOYSA-N
XLogP2.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
CID 102753667
1-[2-(aminomethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-diethylpyrrolidin-3-amine
CID 102753677
[3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751773
1-[2-(chloromethyl)-4-methylthiophen-3-yl]sulfonyl-N,N-dimethylpiperidin-4-amine
CID 102750419
[4-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)sulfonylthiophen-2-yl]methanamine
CID 102755178
[3-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-methylthiophen-2-yl]methanamine
CID 102755001
[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-methylthiophen-2-yl]methanamine
CID 102751045
N-[(4-methyl-3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]cyclopropanamine
CID 102750831
N-methyl-1-[4-methyl-3-(4-methylazepan-1-yl)sulfonylthiophen-2-yl]methanamine
CID 102753824
2-(aminomethyl)-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-sulfonamide
CID 106082660
[3-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-4-methylthiophen-2-yl]methanol
CID 102749830
N-[[4-methyl-3-(3-propan-2-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]methyl]ethanamine
CID 102754750

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The IUPAC name of [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine (CID 102753326) is [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine is Cc1csc(CN)c1S(=O)(=O)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
The InChIKey is KQCVYMMGLUVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S2/c1-11-10-20-13(9-16)14(11)21(18,19)17-7-5-12(6-8-17)15(2,3)4/h10,12H,5-9,16H2,1-4H3.
What are the key properties of [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine?
[3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine has a molecular weight of 330.52 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylpiperidin-1-yl)sulfonyl-4-methylthiophen-2-yl]methanamine is sourced from PubChem (CID 102753326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).