2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine

C14H29N3O2S — CID 63878101

IUPAC2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H29N3O2S/c1-13(2)11-15-12-14-7-3-4-10-17(14)20(18,19)16-8-5-6-9-16/h13-15H,3-12H2,1-2H3
InChIKeyUVCTUTONQKBMPY-UHFFFAOYSA-N
MW303.47 g/mol
LogP1.43
Rot. Bonds6

About 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine

2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine (PubChem CID 63878101) has the molecular formula C14H29N3O2S and a molecular weight of 303.47 g/mol. Its IUPAC name is 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
PubChem CID63878101
Molecular FormulaC14H29N3O2S
Molecular Weight303.47 g/mol
Exact Mass303.20
IUPAC Name2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine
SMILESCC(C)CNCC1CCCCN1S(=O)(=O)N1CCCC1
InChIInChI=1S/C14H29N3O2S/c1-13(2)11-15-12-14-7-3-4-10-17(14)20(18,19)16-8-5-6-9-16/h13-15H,3-12H2,1-2H3
InChIKeyUVCTUTONQKBMPY-UHFFFAOYSA-N
XLogP1.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-piperidin-1-ylsulfonylpiperidin-2-yl)methyl]ethanamine
CID 63877744
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]piperidine-1-sulfonamide
CID 114816835
2-methyl-N-[(1-piperidin-1-ylsulfonylpiperidin-4-yl)methyl]propan-1-amine
CID 63878573
1-(1-piperidin-1-ylsulfonylazepan-2-yl)propan-2-ol
CID 79560533
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)piperidin-2-yl]methyl]ethanamine
CID 115562927
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-2-yl]methyl]propan-1-amine
CID 103416218
[1-(azepan-1-ylsulfonyl)piperidin-2-yl]methanamine;hydrochloride
CID 119969168
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545900
N-[[1-(3-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63878266
1-(1-piperidin-1-ylsulfonylpyrrolidin-2-yl)propan-2-ol
CID 79545984
1-[2-(bromomethyl)piperidin-1-yl]sulfonylazepane
CID 80677173
[(2R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-2-yl]methanol
CID 79028725

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine (CID 63878101) is 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine is CC(C)CNCC1CCCCN1S(=O)(=O)N1CCCC1.
What is the InChIKey of 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine?
The InChIKey is UVCTUTONQKBMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2S/c1-13(2)11-15-12-14-7-3-4-10-17(14)20(18,19)16-8-5-6-9-16/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine?
2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine has a molecular weight of 303.47 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-pyrrolidin-1-ylsulfonylpiperidin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 63878101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).