(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine

C10H21N3O2S — CID 43605338

IUPAC(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
SMILESNCC1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C10H21N3O2S/c11-9-10-3-7-13(8-4-10)16(14,15)12-5-1-2-6-12/h10H,1-9,11H2
InChIKeySNKLKUXVKYPGNN-UHFFFAOYSA-N
MW247.36 g/mol
LogP-0.00
Rot. Bonds3

About (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine

(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine (PubChem CID 43605338) has the molecular formula C10H21N3O2S and a molecular weight of 247.36 g/mol. Its IUPAC name is (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Name(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
PubChem CID43605338
Molecular FormulaC10H21N3O2S
Molecular Weight247.36 g/mol
Exact Mass247.14
IUPAC Name(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine
SMILESNCC1CCN(S(=O)(=O)N2CCCC2)CC1
InChIInChI=1S/C10H21N3O2S/c11-9-10-3-7-13(8-4-10)16(14,15)12-5-1-2-6-12/h10H,1-9,11H2
InChIKeySNKLKUXVKYPGNN-UHFFFAOYSA-N
XLogP-0.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine?
The IUPAC name of (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine (CID 43605338) is (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine.
What is the SMILES notation for (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine?
The canonical SMILES for (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine is NCC1CCN(S(=O)(=O)N2CCCC2)CC1.
What is the InChIKey of (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine?
The InChIKey is SNKLKUXVKYPGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2S/c11-9-10-3-7-13(8-4-10)16(14,15)12-5-1-2-6-12/h10H,1-9,11H2.
What are the key properties of (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine?
(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine has a molecular weight of 247.36 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanamine is sourced from PubChem (CID 43605338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).