1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine

C11H20N2O2S2 — CID 113461173

IUPAC1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine
SMILESCCC(C)c1nc(C(N)CCS(C)(=O)=O)cs1
InChIInChI=1S/C11H20N2O2S2/c1-4-8(2)11-13-10(7-16-11)9(12)5-6-17(3,14)15/h7-9H,4-6,12H2,1-3H3
InChIKeyMXMHTBDQOPHSRK-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.09
Rot. Bonds6

About 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine

1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine (PubChem CID 113461173) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine.

Molecular Properties

Compound Name1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine
PubChem CID113461173
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine
SMILESCCC(C)c1nc(C(N)CCS(C)(=O)=O)cs1
InChIInChI=1S/C11H20N2O2S2/c1-4-8(2)11-13-10(7-16-11)9(12)5-6-17(3,14)15/h7-9H,4-6,12H2,1-3H3
InChIKeyMXMHTBDQOPHSRK-UHFFFAOYSA-N
XLogP2.09
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(2-butan-2-yl-1,3-thiazol-4-yl)acetic acid
CID 104527038
4-methyl-2-(4-methylsulfonylbutan-2-yl)-1,3-thiazole
CID 163565018
4-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)butan-1-amine
CID 105113294
4-(1-aminopropyl)-1,3-thiazol-2-amine
CID 82415862
1-(1,3-benzothiazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 24699449
1-(4-propan-2-yl-1,3-thiazol-2-yl)heptan-1-amine
CID 61331075
4-butan-2-yl-2-(1-methoxypropyl)-1,3-thiazole
CID 116734676
N-methyl-3-methylsulfonyl-1-(2-methyl-1,3-thiazol-4-yl)propan-1-amine
CID 114984071
4-butan-2-yl-2-(1-ethoxypropyl)-1,3-thiazole
CID 116734667
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
N-propan-2-yl-1-(4-propan-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 61333650
5-(1-amino-3-methylsulfonylpropyl)-1,2,4-oxadiazol-3-amine
CID 65418555

Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine?
The IUPAC name of 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine (CID 113461173) is 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine.
What is the SMILES notation for 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine?
The canonical SMILES for 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine is CCC(C)c1nc(C(N)CCS(C)(=O)=O)cs1.
What is the InChIKey of 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine?
The InChIKey is MXMHTBDQOPHSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-8(2)11-13-10(7-16-11)9(12)5-6-17(3,14)15/h7-9H,4-6,12H2,1-3H3.
What are the key properties of 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine?
1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine has a molecular weight of 276.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-1,3-thiazol-4-yl)-3-methylsulfonylpropan-1-amine is sourced from PubChem (CID 113461173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).