3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol

C11H19N3O3S2 — CID 103349702

IUPAC3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,6-15)5-13-10-8(9(12)14-18-10)19(16,17)7-3-4-7/h7,13,15H,3-6H2,1-2H3,(H2,12,14)
InChIKeyCOBGGIJQNUJNGI-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.09
Rot. Bonds6

About 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol

3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol (PubChem CID 103349702) has the molecular formula C11H19N3O3S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
PubChem CID103349702
Molecular FormulaC11H19N3O3S2
Molecular Weight305.43 g/mol
Exact Mass305.09
IUPAC Name3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)CNc1snc(N)c1S(=O)(=O)C1CC1
InChIInChI=1S/C11H19N3O3S2/c1-11(2,6-15)5-13-10-8(9(12)14-18-10)19(16,17)7-3-4-7/h7,13,15H,3-6H2,1-2H3,(H2,12,14)
InChIKeyCOBGGIJQNUJNGI-UHFFFAOYSA-N
XLogP1.09
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol (CID 103349702) is 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol is CC(C)(CO)CNc1snc(N)c1S(=O)(=O)C1CC1.
What is the InChIKey of 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
The InChIKey is COBGGIJQNUJNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S2/c1-11(2,6-15)5-13-10-8(9(12)14-18-10)19(16,17)7-3-4-7/h7,13,15H,3-6H2,1-2H3,(H2,12,14).
What are the key properties of 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol?
3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol has a molecular weight of 305.43 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 103349702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).