N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

C16H24N2O2S2 — CID 91813128

IUPACN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2S2/c19-22(20,16-4-2-1-3-5-16)17-12-14-6-9-18(10-7-14)15-8-11-21-13-15/h1-5,14-15,17H,6-13H2
InChIKeyMPVOJPVPORWTOL-UHFFFAOYSA-N
MW340.51 g/mol
LogP2.18
Rot. Bonds5

About N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide

N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 91813128) has the molecular formula C16H24N2O2S2 and a molecular weight of 340.51 g/mol. Its IUPAC name is N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID91813128
Molecular FormulaC16H24N2O2S2
Molecular Weight340.51 g/mol
Exact Mass340.13
IUPAC NameN-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2S2/c19-22(20,16-4-2-1-3-5-16)17-12-14-6-9-18(10-7-14)15-8-11-21-13-15/h1-5,14-15,17H,6-13H2
InChIKeyMPVOJPVPORWTOL-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813135
2-methoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109725
4-fluoro-3-methyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100682994
2-ethoxy-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91813138
3-chloro-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 91814268
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 119104065
2,4,6-trimethyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109738
2-methoxy-4,5-dimethyl-N-[[1-[(3R)-thiolan-3-yl]piperidin-4-yl]methyl]benzenesulfonamide
CID 100683378
4-methoxy-2-methyl-N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109744
1-(2-fluorophenyl)-N-[[1-(thian-4-yl)piperidin-4-yl]methyl]methanesulfonamide
CID 91814267
3-phenylsulfanyl-N-[[1-[(3S)-thiolan-3-yl]piperidin-4-yl]methyl]propanamide
CID 100682032
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715

Frequently Asked Questions

What is the IUPAC name of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide (CID 91813128) is N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(C2CCSC2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is MPVOJPVPORWTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S2/c19-22(20,16-4-2-1-3-5-16)17-12-14-6-9-18(10-7-14)15-8-11-21-13-15/h1-5,14-15,17H,6-13H2.
What are the key properties of N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide?
N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 340.51 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(thiolan-3-yl)piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 91813128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).