N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

C11H20N2O2S2 — CID 103864793

IUPACN-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-9(2)17(14,15)8-6-13-11(3,4)10-12-5-7-16-10/h5,7,9,13H,6,8H2,1-4H3
InChIKeyXKMQEBYRMUXLRU-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.79
Rot. Bonds6

About N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine

N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (PubChem CID 103864793) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
PubChem CID103864793
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
SMILESCC(C)S(=O)(=O)CCNC(C)(C)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-9(2)17(14,15)8-6-13-11(3,4)10-12-5-7-16-10/h5,7,9,13H,6,8H2,1-4H3
InChIKeyXKMQEBYRMUXLRU-UHFFFAOYSA-N
XLogP1.79
TPSA59.06 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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 71986823
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
6-[2-(1,3-thiazol-2-yl)propan-2-ylamino]hexan-1-ol
CID 103738697
N-[2-(2-methoxyethoxy)ethyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 103738822
2-(1,3-thiazol-2-yl)-N-(2-thiophen-3-ylethyl)propan-2-amine
CID 103714662
1-piperazin-1-yl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propan-1-one
CID 120982990
3-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-3-amine
CID 103864804
N-[(5-chlorofuran-2-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115630853
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(1,3-thiazol-2-yl)propan-2-amine
CID 115654089
2-(2-methylpropylamino)-2-(1,3-thiazol-2-yl)propanoic acid
CID 64990979
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
4-[[2-(1,3-thiazol-2-yl)propan-2-ylamino]methyl]aniline
CID 114132033

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine (CID 103864793) is N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is CC(C)S(=O)(=O)CCNC(C)(C)c1nccs1.
What is the InChIKey of N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is XKMQEBYRMUXLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-9(2)17(14,15)8-6-13-11(3,4)10-12-5-7-16-10/h5,7,9,13H,6,8H2,1-4H3.
What are the key properties of N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine?
N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 103864793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).