N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride

C13H26ClN3O3S2 — CID 119936744

IUPACN-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H25N3O3S2.ClH/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)8-11-10-20-7-5-14-11;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyNHAJXOXFBWQQTJ-UHFFFAOYSA-N
MW371.96 g/mol
LogP0.43
Rot. Bonds5

About N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride

N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride (PubChem CID 119936744) has the molecular formula C13H26ClN3O3S2 and a molecular weight of 371.96 g/mol. Its IUPAC name is N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
PubChem CID119936744
Molecular FormulaC13H26ClN3O3S2
Molecular Weight371.96 g/mol
Exact Mass371.11
IUPAC NameN-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
SMILESCS(=O)(=O)NCC1CCCCN1C(=O)CC1CSCCN1.Cl
InChIInChI=1S/C13H25N3O3S2.ClH/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)8-11-10-20-7-5-14-11;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyNHAJXOXFBWQQTJ-UHFFFAOYSA-N
XLogP0.43
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.96
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2-hydroxyethyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 66420023
1-(2,3-dimethylpiperidin-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119938341
1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119936904
N-[[1-(3-aminobutanoyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride
CID 119722459
1-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937739
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
N-[[1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidin-2-yl]methyl]methanesulfonamide
CID 78933697
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
6-methyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxamide;hydrochloride
CID 119936929
1-[2-(4-fluorophenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119940114
1-[2-(2,3-dimethylphenyl)piperidin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119939972
N-[[1-(2-propylsulfonylacetyl)piperidin-2-yl]methyl]methanesulfonamide
CID 132968697

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride (CID 119936744) is N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride is CS(=O)(=O)NCC1CCCCN1C(=O)CC1CSCCN1.Cl.
What is the InChIKey of N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
The InChIKey is NHAJXOXFBWQQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S2.ClH/c1-21(18,19)15-9-12-4-2-3-6-16(12)13(17)8-11-10-20-7-5-14-11;/h11-12,14-15H,2-10H2,1H3;1H.
What are the key properties of N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride?
N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride has a molecular weight of 371.96 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-thiomorpholin-3-ylacetyl)piperidin-2-yl]methyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119936744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).