4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine

C11H17N3O3S2 — CID 103542353

IUPAC4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCOC1CCN(c2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H17N3O3S2/c1-17-7-4-5-14(6-7)11-9(10(12)13-18-11)19(15,16)8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyRXOIMFZADVUPFC-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.89
Rot. Bonds4

About 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine

4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine (PubChem CID 103542353) has the molecular formula C11H17N3O3S2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine.

Molecular Properties

Compound Name4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
PubChem CID103542353
Molecular FormulaC11H17N3O3S2
Molecular Weight303.41 g/mol
Exact Mass303.07
IUPAC Name4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine
SMILESCOC1CCN(c2snc(N)c2S(=O)(=O)C2CC2)C1
InChIInChI=1S/C11H17N3O3S2/c1-17-7-4-5-14(6-7)11-9(10(12)13-18-11)19(15,16)8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13)
InChIKeyRXOIMFZADVUPFC-UHFFFAOYSA-N
XLogP0.89
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-ethylsulfonyl-5-(3-methoxypiperidin-1-yl)-1,2-thiazol-3-amine
CID 103365873
4-cyclopropylsulfonyl-5-(4-propan-2-ylpiperidin-1-yl)-1,2-thiazol-3-amine
CID 103505423
4-cyclopropylsulfonyl-5-(3,4,5-trimethylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349855
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)piperidine-3-carboxamide
CID 103349281
4-cyclopropylsulfonyl-5-(4-propylpiperazin-1-yl)-1,2-thiazol-3-amine
CID 103349182
3-amino-N-cyclopropyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazole-4-carboxamide
CID 103542356
4-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)-1-methyl-1,4-diazepan-2-one
CID 103349871
3-amino-5-(3-methoxypyrrolidin-1-yl)-4-methylsulfonylthiophene-2-carbonitrile
CID 103542392
3-amino-5-(4-ethoxypiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103360651
4-methylsulfonyl-5-(3-piperidin-1-ylpyrrolidin-1-yl)-1,2-thiazol-3-amine
CID 103381800
N-[1-(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 103384147

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine?
The IUPAC name of 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine (CID 103542353) is 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine.
What is the SMILES notation for 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine?
The canonical SMILES for 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine is COC1CCN(c2snc(N)c2S(=O)(=O)C2CC2)C1.
What is the InChIKey of 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine?
The InChIKey is RXOIMFZADVUPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S2/c1-17-7-4-5-14(6-7)11-9(10(12)13-18-11)19(15,16)8-2-3-8/h7-8H,2-6H2,1H3,(H2,12,13).
What are the key properties of 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine?
4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine has a molecular weight of 303.41 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylsulfonyl-5-(3-methoxypyrrolidin-1-yl)-1,2-thiazol-3-amine is sourced from PubChem (CID 103542353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).