N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

C18H27N5O2S2 — CID 71852850

IUPACN-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCN(Cc3nsc(N(C)C)n3)C2)cc1
InChIInChI=1S/C18H27N5O2S2/c1-14-6-8-16(9-7-14)27(24,25)19-11-15-5-4-10-23(12-15)13-17-20-18(22(2)3)26-21-17/h6-9,15,19H,4-5,10-13H2,1-3H3
InChIKeyUUIIQPSCVHOHRW-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.10
Rot. Bonds7

About N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide

N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 71852850) has the molecular formula C18H27N5O2S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID71852850
Molecular FormulaC18H27N5O2S2
Molecular Weight409.58 g/mol
Exact Mass409.16
IUPAC NameN-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC2CCCN(Cc3nsc(N(C)C)n3)C2)cc1
InChIInChI=1S/C18H27N5O2S2/c1-14-6-8-16(9-7-14)27(24,25)19-11-15-5-4-10-23(12-15)13-17-20-18(22(2)3)26-21-17/h6-9,15,19H,4-5,10-13H2,1-3H3
InChIKeyUUIIQPSCVHOHRW-UHFFFAOYSA-N
XLogP2.10
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide (CID 71852850) is N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCC2CCCN(Cc3nsc(N(C)C)n3)C2)cc1.
What is the InChIKey of N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is UUIIQPSCVHOHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2S2/c1-14-6-8-16(9-7-14)27(24,25)19-11-15-5-4-10-23(12-15)13-17-20-18(22(2)3)26-21-17/h6-9,15,19H,4-5,10-13H2,1-3H3.
What are the key properties of N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide?
N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 409.58 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperidin-3-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 71852850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).