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

C13H21N3O3S2 — CID 103348943

IUPAC1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nsc(NCC2(O)CCCCC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O3S2/c14-11-10(21(18,19)9-4-5-9)12(20-16-11)15-8-13(17)6-2-1-3-7-13/h9,15,17H,1-8H2,(H2,14,16)
InChIKeyJBBBRZAISHAIFE-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.77
Rot. Bonds5

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

1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 103348943) has the molecular formula C13H21N3O3S2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
PubChem CID103348943
Molecular FormulaC13H21N3O3S2
Molecular Weight331.46 g/mol
Exact Mass331.10
IUPAC Name1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1nsc(NCC2(O)CCCCC2)c1S(=O)(=O)C1CC1
InChIInChI=1S/C13H21N3O3S2/c14-11-10(21(18,19)9-4-5-9)12(20-16-11)15-8-13(17)6-2-1-3-7-13/h9,15,17H,1-8H2,(H2,14,16)
InChIKeyJBBBRZAISHAIFE-UHFFFAOYSA-N
XLogP1.77
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol (CID 103348943) is 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol is Nc1nsc(NCC2(O)CCCCC2)c1S(=O)(=O)C1CC1.
What is the InChIKey of 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is JBBBRZAISHAIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S2/c14-11-10(21(18,19)9-4-5-9)12(20-16-11)15-8-13(17)6-2-1-3-7-13/h9,15,17H,1-8H2,(H2,14,16).
What are the key properties of 1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol?
1-[[(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 331.46 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 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)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103348943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).