4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

C14H26N4O2S2 — CID 72868098

IUPAC4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cs1
InChIInChI=1S/C14H26N4O2S2/c1-10(2)13-7-18(6-12-9-21-11(3)15-12)8-14(13)16-22(19,20)17(4)5/h9-10,13-14,16H,6-8H2,1-5H3/t13-,14+/m0/s1
InChIKeyCWXQGRMEDORQRT-UONOGXRCSA-N
MW346.52 g/mol
LogP1.30
Rot. Bonds6

About 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole

4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 72868098) has the molecular formula C14H26N4O2S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID72868098
Molecular FormulaC14H26N4O2S2
Molecular Weight346.52 g/mol
Exact Mass346.15
IUPAC Name4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cs1
InChIInChI=1S/C14H26N4O2S2/c1-10(2)13-7-18(6-12-9-21-11(3)15-12)8-14(13)16-22(19,20)17(4)5/h9-10,13-14,16H,6-8H2,1-5H3/t13-,14+/m0/s1
InChIKeyCWXQGRMEDORQRT-UONOGXRCSA-N
XLogP1.30
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole (CID 72868098) is 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is Cc1nc(CN2C[C@@H](NS(=O)(=O)N(C)C)[C@H](C(C)C)C2)cs1.
What is the InChIKey of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is CWXQGRMEDORQRT-UONOGXRCSA-N. The full InChI is InChI=1S/C14H26N4O2S2/c1-10(2)13-7-18(6-12-9-21-11(3)15-12)8-14(13)16-22(19,20)17(4)5/h9-10,13-14,16H,6-8H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 346.52 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,4R)-3-(dimethylsulfamoylamino)-4-propan-2-ylpyrrolidin-1-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 72868098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).