2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine

C12H16N2OS — CID 116853551

IUPAC2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
SMILESCc1nc2ccc(SC(C)(C)CN)cc2o1
InChIInChI=1S/C12H16N2OS/c1-8-14-10-5-4-9(6-11(10)15-8)16-12(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyIVRWHMPFGCLSKI-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine

2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine (PubChem CID 116853551) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
PubChem CID116853551
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine
SMILESCc1nc2ccc(SC(C)(C)CN)cc2o1
InChIInChI=1S/C12H16N2OS/c1-8-14-10-5-4-9(6-11(10)15-8)16-12(2,3)7-13/h4-6H,7,13H2,1-3H3
InChIKeyIVRWHMPFGCLSKI-UHFFFAOYSA-N
XLogP2.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methyl-1,3-benzoxazol-5-yl)sulfanyl]propan-1-ol
CID 116852345
2-(2-methyl-1,3-benzoxazol-6-yl)propan-2-amine
CID 82403969
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
3-methyl-2-(2-methyl-1,3-benzoxazol-6-yl)butan-1-amine
CID 82493584
2-(2-methyl-1,3-benzoxazol-6-yl)propane-2-thiol
CID 116866628
3-N,3-dimethyl-3-N-(2-methyl-1,3-benzoxazol-6-yl)butane-1,3-diamine
CID 115134610
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
CID 104523422
N'-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 115197129
4-amino-3,3-dimethyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115157214
3-methyl-3-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butane-1,3-diamine
CID 115134955
6-iodo-2-methyl-1,3-benzoxazole
CID 119084609

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine (CID 116853551) is 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine is Cc1nc2ccc(SC(C)(C)CN)cc2o1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine?
The InChIKey is IVRWHMPFGCLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-14-10-5-4-9(6-11(10)15-8)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-6-yl)sulfanyl]propan-1-amine?
2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,3-benzoxazol-6-yl)sulfanyl]propan-1-amine is sourced from PubChem (CID 116853551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).