4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

C10H18N4O3S2 — CID 106383922

IUPAC4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C10H18N4O3S2/c11-5-8-1-3-14(4-2-8)19(16,17)12-6-9-7-18-10(15)13-9/h7-8,12H,1-6,11H2,(H,13,15)
InChIKeyIVVSLCFBJHYZTF-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.56
Rot. Bonds5

About 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106383922) has the molecular formula C10H18N4O3S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106383922
Molecular FormulaC10H18N4O3S2
Molecular Weight306.41 g/mol
Exact Mass306.08
IUPAC Name4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESNCC1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1
InChIInChI=1S/C10H18N4O3S2/c11-5-8-1-3-14(4-2-8)19(16,17)12-6-9-7-18-10(15)13-9/h7-8,12H,1-6,11H2,(H,13,15)
InChIKeyIVVSLCFBJHYZTF-UHFFFAOYSA-N
XLogP-0.56
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106383922) is 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is NCC1CCN(S(=O)(=O)NCc2csc(=O)[nH]2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is IVVSLCFBJHYZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S2/c11-5-8-1-3-14(4-2-8)19(16,17)12-6-9-7-18-10(15)13-9/h7-8,12H,1-6,11H2,(H,13,15).
What are the key properties of 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 306.41 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106383922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).