1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide

C12H18N4O3S2 — CID 103349281

IUPAC1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H18N4O3S2/c13-10-9(21(18,19)8-3-4-8)12(20-15-10)16-5-1-2-7(6-16)11(14)17/h7-8H,1-6H2,(H2,13,15)(H2,14,17)
InChIKeyZECSJQKHQCHSQV-UHFFFAOYSA-N
MW330.44 g/mol
LogP0.36
Rot. Bonds4

About 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide

1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide (PubChem CID 103349281) has the molecular formula C12H18N4O3S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
PubChem CID103349281
Molecular FormulaC12H18N4O3S2
Molecular Weight330.44 g/mol
Exact Mass330.08
IUPAC Name1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C12H18N4O3S2/c13-10-9(21(18,19)8-3-4-8)12(20-15-10)16-5-1-2-7(6-16)11(14)17/h7-8H,1-6H2,(H2,13,15)(H2,14,17)
InChIKeyZECSJQKHQCHSQV-UHFFFAOYSA-N
XLogP0.36
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide
CID 103381033
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103542353
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,2-thiazol-3-amine
CID 103349903
[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103349210
1-[3-amino-4-(2-methyl-1,3-thiazol-4-yl)-1,2-thiazol-5-yl]piperidine-3-carboxamide
CID 103381037
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
4-ethylsulfonyl-5-(3-methylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103362141
4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103365979

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide (CID 103349281) is 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide is NC(=O)C1CCCN(c2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
The InChIKey is ZECSJQKHQCHSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S2/c13-10-9(21(18,19)8-3-4-8)12(20-15-10)16-5-1-2-7(6-16)11(14)17/h7-8H,1-6H2,(H2,13,15)(H2,14,17).
What are the key properties of 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide?
1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide has a molecular weight of 330.44 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidine-3-carboxamide is sourced from PubChem (CID 103349281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).