4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide

C9H17N5O2S2 — CID 106082713

IUPAC4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)N2CCC(CN)CC2)s1
InChIInChI=1S/C9H17N5O2S2/c1-7-11-12-9(17-7)13-18(15,16)14-4-2-8(6-10)3-5-14/h8H,2-6,10H2,1H3,(H,12,13)
InChIKeyRHIAMSLOHVPURS-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.17
Rot. Bonds4

About 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide

4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (PubChem CID 106082713) has the molecular formula C9H17N5O2S2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
PubChem CID106082713
Molecular FormulaC9H17N5O2S2
Molecular Weight291.40 g/mol
Exact Mass291.08
IUPAC Name4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
SMILESCc1nnc(NS(=O)(=O)N2CCC(CN)CC2)s1
InChIInChI=1S/C9H17N5O2S2/c1-7-11-12-9(17-7)13-18(15,16)14-4-2-8(6-10)3-5-14/h8H,2-6,10H2,1H3,(H,12,13)
InChIKeyRHIAMSLOHVPURS-UHFFFAOYSA-N
XLogP0.17
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)piperidine-1-sulfonamide
CID 106053320
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide
CID 106089726
4-(aminomethyl)-N-(5-methyl-3-pyridinyl)piperidine-1-sulfonamide
CID 106087973
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
4-(aminomethyl)-N-(2-methyl-4-pyridinyl)piperidine-1-sulfonamide
CID 106071212
4-(aminomethyl)-N-thiophen-3-ylpiperidine-1-sulfonamide
CID 106069875
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)piperidine-1-sulfonamide
CID 106065679
4-(methylaminomethyl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-sulfonamide
CID 106061089
4-(aminomethyl)-N-(2-fluoro-6-methylphenyl)piperidine-1-sulfonamide
CID 106083694
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
(1-ethylsulfonylpiperidin-4-yl)methanamine
CID 28706827
4-(aminomethyl)-N-(4-bromo-2,5-difluorophenyl)piperidine-1-sulfonamide
CID 106088800

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide (CID 106082713) is 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is Cc1nnc(NS(=O)(=O)N2CCC(CN)CC2)s1.
What is the InChIKey of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
The InChIKey is RHIAMSLOHVPURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S2/c1-7-11-12-9(17-7)13-18(15,16)14-4-2-8(6-10)3-5-14/h8H,2-6,10H2,1H3,(H,12,13).
What are the key properties of 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide?
4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide has a molecular weight of 291.40 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106082713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).