N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine

C11H20N2O2S2 — CID 84590547

IUPACN-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CN(CCS(C)(=O)=O)C(C)C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-9(2)13(5-6-17(4,14)15)7-11-8-16-10(3)12-11/h8-9H,5-7H2,1-4H3
InChIKeyWHEJGWNDMQSYLE-UHFFFAOYSA-N
MW276.43 g/mol
LogP1.71
Rot. Bonds6

About N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine

N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 84590547) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID84590547
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC NameN-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1nc(CN(CCS(C)(=O)=O)C(C)C)cs1
InChIInChI=1S/C11H20N2O2S2/c1-9(2)13(5-6-17(4,14)15)7-11-8-16-10(3)12-11/h8-9H,5-7H2,1-4H3
InChIKeyWHEJGWNDMQSYLE-UHFFFAOYSA-N
XLogP1.71
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanesulfonamide
CID 3237999
N-(3-methylsulfonylpropyl)-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 71986796
N-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986802
2-(Methylsulfonylmethyl)-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 71988649
N-[2-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114790
4-[(2-Propyl-1,3-thiazol-4-yl)methyl]-1,4-thiazinane 1,1-dioxide
CID 71879328
N-[(2-Methyl-1,3-thiazol-4-yl)methyl]-N-prop-2-ynylbut-2-yn-1-amine
CID 71988856
N-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanesulfonamide
CID 71996871
N-methyl-3-methylsulfonyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 75369458
(3S)-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 95592435
(3S)-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methyl-1,4-thiazinane 1,1-dioxide
CID 96053157
N-[2-[cyclopropyl-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]amino]ethyl]methanesulfonamide
CID 100765479

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 84590547) is N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is Cc1nc(CN(CCS(C)(=O)=O)C(C)C)cs1.
What is the InChIKey of N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is WHEJGWNDMQSYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-9(2)13(5-6-17(4,14)15)7-11-8-16-10(3)12-11/h8-9H,5-7H2,1-4H3.
What are the key properties of N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine?
N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 84590547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).