N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine

C14H23BrN2O2S2 — CID 63878266

IUPACN-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1S(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H23BrN2O2S2/c1-11(2)9-16-10-12-5-3-4-7-17(12)21(18,19)14-13(15)6-8-20-14/h6,8,11-12,16H,3-5,7,9-10H2,1-2H3
InChIKeyZRDACBSBBBCZNT-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 63878266) has the molecular formula C14H23BrN2O2S2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID63878266
Molecular FormulaC14H23BrN2O2S2
Molecular Weight395.39 g/mol
Exact Mass394.04
IUPAC NameN-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1CCCCN1S(=O)(=O)c1sccc1Br
InChIInChI=1S/C14H23BrN2O2S2/c1-11(2)9-16-10-12-5-3-4-7-17(12)21(18,19)14-13(15)6-8-20-14/h6,8,11-12,16H,3-5,7,9-10H2,1-2H3
InChIKeyZRDACBSBBBCZNT-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(3-bromothiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285310
2-(2-bromoethyl)-1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 80670503
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
CID 103416218
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
CID 63878101
N-[[1-[(3-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-1-amine
CID 62579641
(2R,3R)-1-(3-bromothiophen-2-yl)sulfonyl-2-methylpiperidine-3-carboxylic acid
CID 122105257
N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879127
1-[1-(3-methoxythiophen-2-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 119991163
(2S)-1-(3-bromothiophen-2-yl)sulfonyl-2-(2-methylpyrazol-3-yl)piperidine
CID 124743984
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-3-yl]methyl]ethanamine
CID 55258588
1-(3-bromothiophen-2-yl)sulfonylpiperidine
CID 61072332

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine (CID 63878266) is N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1CCCCN1S(=O)(=O)c1sccc1Br.
What is the InChIKey of N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZRDACBSBBBCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2O2S2/c1-11(2)9-16-10-12-5-3-4-7-17(12)21(18,19)14-13(15)6-8-20-14/h6,8,11-12,16H,3-5,7,9-10H2,1-2H3.
What are the key properties of N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 395.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63878266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).