2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine

C12H16N2O3S — CID 116855218

IUPAC2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
SMILESCc1nc2cc(S(=O)(=O)C(C)(C)CN)ccc2o1
InChIInChI=1S/C12H16N2O3S/c1-8-14-10-6-9(4-5-11(10)17-8)18(15,16)12(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyUGPDNHOMXFKQHK-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.65
Rot. Bonds3

About 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine

2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine (PubChem CID 116855218) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
PubChem CID116855218
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine
SMILESCc1nc2cc(S(=O)(=O)C(C)(C)CN)ccc2o1
InChIInChI=1S/C12H16N2O3S/c1-8-14-10-6-9(4-5-11(10)17-8)18(15,16)12(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyUGPDNHOMXFKQHK-UHFFFAOYSA-N
XLogP1.65
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1,3-benzoxazole-5-sulfonamide
CID 43173624
N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 83537343
N-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]ethanamine
CID 116853402
2-methyl-5-pyrrolidin-1-ylsulfonyl-1,3-benzoxazole
CID 110760491
N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
CID 115200125
N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 110760549
N-[(2-chlorophenyl)methyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760517
2,2-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,4-diamine
CID 115204917
2-(3H-benzimidazol-5-ylsulfonyl)-2-methylpropan-1-amine
CID 116855215
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760529
N-[4-(dimethylamino)phenyl]-2-methyl-1,3-benzoxazole-5-sulfonamide
CID 110760604

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine (CID 116855218) is 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine is Cc1nc2cc(S(=O)(=O)C(C)(C)CN)ccc2o1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine?
The InChIKey is UGPDNHOMXFKQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-8-14-10-6-9(4-5-11(10)17-8)18(15,16)12(2,3)7-13/h4-6H,7,13H2,1-3H3.
What are the key properties of 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine?
2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine has a molecular weight of 268.34 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfonyl]propan-1-amine is sourced from PubChem (CID 116855218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).