(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine

C11H20N2O2S2 — CID 96519861

IUPAC(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCCCS(C)(=O)=O)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-4-11(2,10-12-7-8-16-10)13-6-5-9-17(3,14)15/h7-8,13H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyHFFVMSYZADUSLU-NSHDSACASA-N
MW276.43 g/mol
LogP1.79
Rot. Bonds7

About (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine

(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine (PubChem CID 96519861) has the molecular formula C11H20N2O2S2 and a molecular weight of 276.43 g/mol. Its IUPAC name is (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine
PubChem CID96519861
Molecular FormulaC11H20N2O2S2
Molecular Weight276.43 g/mol
Exact Mass276.10
IUPAC Name(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine
SMILESCC[C@](C)(NCCCS(C)(=O)=O)c1nccs1
InChIInChI=1S/C11H20N2O2S2/c1-4-11(2,10-12-7-8-16-10)13-6-5-9-17(3,14)15/h7-8,13H,4-6,9H2,1-3H3/t11-/m0/s1
InChIKeyHFFVMSYZADUSLU-NSHDSACASA-N
XLogP1.79
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-Thiazol-2-yl)butan-2-amine
CID 53534946
2-(1,3-Thiazol-2-yl)propan-2-amine
CID 28286203
N-(3-methylsulfonylpropyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 71859869
N-methyl-3-[2-(1,3-thiazol-2-yl)propan-2-ylamino]propane-1-sulfonamide
CID 71986830
N-[2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]ethyl]ethanesulfonamide
CID 72114792
N-(2-propylsulfonylethyl)-2-(1,3-thiazol-2-yl)propan-2-amine
CID 75386766
N-(2-methylsulfonylethyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 75433714
N-[2-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]ethyl]methanesulfonamide
CID 84589515
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 97064545
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-2-methoxypropane-1-sulfonamide
CID 102564269
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]azepane-1-sulfonamide
CID 124595114
N-[(1S)-1-(1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 124595122

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The IUPAC name of (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine (CID 96519861) is (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine.
What is the SMILES notation for (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The canonical SMILES for (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine is CC[C@](C)(NCCCS(C)(=O)=O)c1nccs1.
What is the InChIKey of (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
The InChIKey is HFFVMSYZADUSLU-NSHDSACASA-N. The full InChI is InChI=1S/C11H20N2O2S2/c1-4-11(2,10-12-7-8-16-10)13-6-5-9-17(3,14)15/h7-8,13H,4-6,9H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine?
(2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methylsulfonylpropyl)-2-(1,3-thiazol-2-yl)butan-2-amine is sourced from PubChem (CID 96519861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).