N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide

C13H25N3O3S2 — CID 114626952

IUPACN-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O3S2/c1-21(18,19)15-11-4-8-16(9-5-11)13(17)10-20-12-2-6-14-7-3-12/h11-12,14-15H,2-10H2,1H3
InChIKeyNJCATNQBJABPQW-UHFFFAOYSA-N
MW335.50 g/mol
LogP0.01
Rot. Bonds5

About N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide

N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide (PubChem CID 114626952) has the molecular formula C13H25N3O3S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
PubChem CID114626952
Molecular FormulaC13H25N3O3S2
Molecular Weight335.50 g/mol
Exact Mass335.13
IUPAC NameN-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(C(=O)CSC2CCNCC2)CC1
InChIInChI=1S/C13H25N3O3S2/c1-21(18,19)15-11-4-8-16(9-5-11)13(17)10-20-12-2-6-14-7-3-12/h11-12,14-15H,2-10H2,1H3
InChIKeyNJCATNQBJABPQW-UHFFFAOYSA-N
XLogP0.01
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-piperidin-4-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 114628005
N-ethyl-4-(2-piperidin-4-ylsulfanylacetyl)piperazine-1-carboxamide
CID 114626929
N-(1-butanoylpiperidin-4-yl)methanesulfonamide
CID 60708278
1-(4-hydroxy-3-methylpiperidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114678293
methyl 4-[4-(methanesulfonamido)piperidin-1-yl]-4-oxobutanoate
CID 110819832
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-piperidin-4-ylsulfanylethanone
CID 114626671
N-[1-(6-amino-4,4-dimethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 65290824
1-pyrrolidin-1-yl-2-pyrrolidin-3-ylsulfanylethanone
CID 71777928
N-[1-(6-aminohexanoyl)piperidin-4-yl]methanesulfonamide
CID 54870016
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-[1-[2-methyl-3-(methylamino)propanoyl]piperidin-4-yl]methanesulfonamide
CID 79201762
1-(3-piperidin-1-ylpyrrolidin-1-yl)-2-piperidin-4-ylsulfanylethanone
CID 114627527

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide (CID 114626952) is N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(C(=O)CSC2CCNCC2)CC1.
What is the InChIKey of N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide?
The InChIKey is NJCATNQBJABPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S2/c1-21(18,19)15-11-4-8-16(9-5-11)13(17)10-20-12-2-6-14-7-3-12/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide?
N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide has a molecular weight of 335.50 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-piperidin-4-ylsulfanylacetyl)piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 114626952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).